MMChat SFT
Collection
27 items
•
Updated
id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
0 | {
"selfies": [
"[C][=C][O][C][C][C][Ring1][=Branch1]",
"[O][C][C][C][C][C][C][C][C][C][C][C][C][Br]",
"[Br][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][C][C][C][O][Ring1][=Branch1]"
],
"smiles": [
"C1=COCCC1",
"OCCCCCCCCCCCCBr",
"BrCCCCCCCCCCCCOC1CCCCO1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCCCCC .",
"role": "assistant"
}
] | |
1 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F]",
"[O][=N+1][Branch1][C][O-1][O]",
"[C][C][O][C][=Branch1][C][=O][O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][O][F]"
],
"smiles": [
"CCOC(=O)Oc1ccc(F)c(F)c1F",
"O=[N+]([O-])O",
"CCOC(=O)Oc1cc([N+](=O)[O-])c(F)c(F)c1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be O=S(=O)(O)O .",
"role": "assistant"
}
] | |
2 | {
"selfies": [
"[Br][C][Branch1][C][Br][Branch1][C][Br][Br]",
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Ring2][C][C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C]",
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][Ring2][C][C][Br][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"BrC(Br)(Br)Br",
"CCN(CC)C(=O)c1ccc(C(CCO)c2cccc(OC)c2)cc1",
"CCN(CC)C(=O)c1ccc(C(CCBr)c2cccc(OC)c2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CC#N .",
"role": "assistant"
}
] | |
3 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S]",
"[C][C][=C][C][=C][Branch2][Ring1][P][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)Cl)cc1",
"OC1Cc2ccccc2C(C2CCCCC2)C1",
"Cc1ccc(S(=O)(=O)OC2Cc3ccccc3C(C3CCCCC3)C2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be c1ccncc1 .",
"role": "assistant"
}
] | |
4 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=Branch1][C][=O][O][C][C][=C][Ring1][N]",
"[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][C][=C][Ring1][O]"
],
"smiles": [
"CNC(=O)c1ccc(C=CC(=O)OC)cc1",
"CNC(=O)c1ccc(C=CC(=O)O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
5 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[O][C][C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]"
],
"smiles": [
"COC(=O)C(O)c1cccc(Cl)c1",
"OCC(O)c1cccc(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
6 | {
"selfies": [
"[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][Cl]",
"[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C][Cl]"
],
"smiles": [
"Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Cl",
"Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl",
"Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
7 | {
"selfies": [
"[C][C][=C][C][Branch1][C][O][=C][C][C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][Branch1][C][C][C][Ring2][Ring1][C][=Ring1][=N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F]",
"[C][C][=C][C][Branch2][Ring1][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][C][C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][N][Branch1][C][C][C][Ring2][Ring1][=N][=Ring1][=N]"
],
"smiles": [
"Cc1cc(O)cc2c(C3CCN(C)CC3)cn(C)c12",
"O=S(=O)(Cl)c1c(F)cccc1F",
"Cc1cc(OS(=O)(=O)c2c(F)cccc2F)cc2c(C3CCN(C)CC3)cn(C)c12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
8 | {
"selfies": [
"[C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C]",
"[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Ring1][Branch2]",
"[C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"COS(=O)(=O)OC",
"Cc1ccc(Cl)c(O)c1",
"COc1cc(C)ccc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
9 | {
"selfies": [
"[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"O=C(O)c1cccc(O)c1",
"O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cl",
"O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
10 | {
"selfies": [
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Cl]",
"[O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O]",
"[O][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O][Cl]"
],
"smiles": [
"O=C1CCC(=O)N1Cl",
"Oc1ccc2cc(Br)ccc2c1",
"Oc1ccc2cc(Br)ccc2c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
11 | {
"selfies": [
"[C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C]",
"[C][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][C][C][Ring1][#Branch1]"
],
"smiles": [
"CNC(=O)Nc1nc2c(s1)CN(C(=O)OC(C)(C)C)CC2",
"CNC(=O)Nc1nc2c(s1)CNCC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: ClC(Cl)Cl .",
"role": "assistant"
}
] | |
12 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][Branch1][C][C][Branch1][=N][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CC(C)(Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F",
"CC(C)(Oc1ccc(N)cc1)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
13 | {
"selfies": [
"[O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]",
"[O][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]"
],
"smiles": [
"OCc1cc2ccccc2[nH]1",
"O=Cc1cc2ccccc2[nH]1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
14 | {
"selfies": [
"[C][N][C][C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][Ring1][N][=O]",
"[C][N][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][Ring1][Branch2][=O]"
],
"smiles": [
"CN1CC(C(=O)OC(C)(C)C)NC1=O",
"CN1CC(C(=O)O)NC1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl.O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
15 | {
"selfies": [
"[C][N][C][=C][C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][=N][Ring1][P]",
"[F][C][=N][C][=C][Branch1][O][O][C][C][C][O][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl]",
"[C][N][C][=C][C][Branch2][Ring2][O][N][C][=N][C][=N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=N][C][=C][Branch1][O][O][C][C][C][O][C][C][O][Ring1][Branch1][C][=C][Ring1][=C][Cl][C][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][=N][Ring2][Ring1][S]"
],
"smiles": [
"Cn1ccc(Nc2ncnc3ccc(O)cc23)n1",
"Fc1ncc(OCCC2OCCO2)cc1Cl",
"Cn1ccc(Nc2ncnc3ccc(Oc4ncc(OCCC5OCCO5)cc4Cl)cc23)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC(=O)N(C)C .",
"role": "assistant"
}
] | |
16 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Branch1][C][F][C][=N][N][Ring1][=Branch1][C]",
"[C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=C][Branch1][C][F][C][=N][N][Ring1][=Branch1][C]"
],
"smiles": [
"COc1ccc([N+](=O)[O-])cc1-c1c(F)cnn1C",
"COc1ccc(N)cc1-c1c(F)cnn1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
17 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]",
"[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1]"
],
"smiles": [
"COc1ccccc1N1CCN(CCC(C(=O)C2CCCCC2)c2ccccc2)CC1",
"COc1ccccc1N1CCN(CCC(c2ccccc2)C(O)C2CCCCC2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be Cc1ccccc1.ClCCl .",
"role": "assistant"
}
] | |
18 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][Branch2][O]",
"[N][#C][C][=C][N][=C][C][Branch1][=C][S][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=C][Ring1][#C]",
"[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][O][C][C][=C][C][=C][C][Branch1][=C][S][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring1][Branch2][O]"
],
"smiles": [
"CC(=O)c1ccc(O)c(C)c1O",
"N#Cc1cncc(Sc2cccc(CO)c2)c1",
"CC(=O)c1ccc(OCc2cccc(Sc3cncc(C#N)c3)c2)c(C)c1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
19 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][C][Ring1][=Branch1][Branch1][C][N][C][Ring1][#Branch2]",
"[C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][=C][C][C][Ring1][=Branch1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][P]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CC(c1ccccc1)N1CC2CC=CCC2(N)C1",
"CC(c1ccccc1)N1CC2CC=CCC2(NC(=O)OC(C)(C)C)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
20 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][S][C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][S][=C][Ring2][Ring2][Branch2]",
"[O][=C][Branch1][C][O][C][C][S][C][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][=N][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=N][Ring1][S][=C][Ring2][Ring2][Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1",
"O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2C(=O)Nc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
21 | {
"selfies": [
"[N][C][=N][C][Branch1][C][Cl][=C][Branch1][Ring1][C][=O][S][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][C][S][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][=C][Cl]"
],
"smiles": [
"Nc1nc(Cl)c(C=O)s1",
"O=C(Cl)c1ccccc1",
"O=Cc1sc(NC(=O)c2ccccc2)nc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
22 | {
"selfies": [
"[C][C][O][C][C][N][Ring1][=Branch1]",
"[Cl][C][=N][C][=C][N][=C][Ring1][=Branch1][Cl]",
"[Cl][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][C][Ring1][=Branch1]"
],
"smiles": [
"C1COCCN1",
"Clc1nccnc1Cl",
"Clc1nccnc1N1CCOCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
23 | {
"selfies": [
"[C][C][C][C][C][C][C][C][C][C][C][C][C][C][Br]",
"[C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C]",
"[C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C]"
],
"smiles": [
"CCCCCCCCCCCCCCBr",
"Cc1cccc(O)c1C",
"CCCCCCCCCCCCCCOc1cccc(C)c1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CC#N .",
"role": "assistant"
}
] | |
24 | {
"selfies": [
"[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C][=C][Branch1][N][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][S][Ring2][Ring1][=C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N]",
"[C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][P][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring2][Ring1][C][=C][Branch2][Ring1][=Branch1][C][=C][C][=N][C][Branch1][N][N][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=N][Ring1][=N][S][Ring2][Ring2][Ring2]"
],
"smiles": [
"CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(Cl)n2)s1",
"CS(=O)(=O)CCN",
"CC(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2)c(-c2ccnc(NCCS(C)(=O)=O)n2)s1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "Cl .",
"role": "assistant"
}
] | |
25 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch2]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CCOC(=O)C1CCC(NC(=O)C2(CC(C(=O)O)C3C=CCCC3)CCCC2)CC1",
"CCOC(=O)C1CCC(NC(=O)C2(CC(C(=O)O)C3CCCCC3)CCCC2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
26 | {
"selfies": [
"[C][I]",
"[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Branch1][=Branch2][C][O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][=C]"
],
"smiles": [
"CI",
"Cc1ccc(C(=O)O)cc1C1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1",
"COC(=O)c1ccc(C)c(C2OC(COCc3ccccc3)C(OCc3ccccc3)C(OCc3ccccc3)C2OCc2ccccc2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
27 | {
"selfies": [
"[C][C][=C][Branch1][C][N][C][=C][C][=C][Ring1][#Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1]",
"[O][=C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][C][C][C][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Ring2][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1]"
],
"smiles": [
"Cc1c(N)ccc2c1cnn2C1CCCCO1",
"O=C1CC2CCC(C1)N2Cc1ccccc1",
"Cc1c(NC2CC3CCC(C2)N3Cc2ccccc2)ccc2c1cnn2C1CCCCO1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCCl .",
"role": "assistant"
}
] | |
28 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]",
"[C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)C(=O)CC(NC(=O)OC(C)(C)C)C(=O)O",
"CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(N)CCc1ccccc1",
"CN(CCNC(=O)c1ccc(C(F)(F)F)cc1)C(=O)C(CCc1ccccc1)NC(=O)C(CC(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
29 | {
"selfies": [
"[O][=C][Branch1][N][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=N][C][=N][C][Branch2][Ring1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][F][=C][Ring1][P][S][Ring2][Ring1][Ring2]",
"[N][C][=C][C][=C][Branch2][Ring1][P][O][C][=N][C][=N][C][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][O][C][C][Ring1][=Branch1][S][C][Ring2][Ring1][Ring2][=Ring1][S][C][Branch1][C][F][=C][Ring2][Ring1][N]"
],
"smiles": [
"O=C(NCCN1CCOCC1)c1cc2ncnc(Oc3ccc([N+](=O)[O-])cc3F)c2s1",
"Nc1ccc(Oc2ncnc3cc(C(=O)NCCN4CCOCC4)sc23)c(F)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CO .",
"role": "assistant"
}
] | |
30 | {
"selfies": [
"[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C]",
"[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][N+1][Branch1][C][O-1][=C][Ring1][#Branch1][C]"
],
"smiles": [
"Cc1cccnc1C",
"O=C(OO)c1cccc(Cl)c1",
"Cc1ccc[n+]([O-])c1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
31 | {
"selfies": [
"[C][O][C][=C][C][=N][C][=N][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Branch1][C][C][C][O][C][C][Ring1][#Branch2]",
"[C][O][C][=C][C][=N][C][=N][C][Branch1][#C][O][C][=C][N][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][S][C][=C][Ring2][Ring1][Ring2][O][C][C][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2]"
],
"smiles": [
"COc1cc2ncnc(Oc3cnc4[nH]ccc4c3)c2cc1O",
"CS(=O)(=O)N1CCN(CCCO)CC1",
"COc1cc2ncnc(Oc3cnc4[nH]ccc4c3)c2cc1OCCCN1CCN(S(C)(=O)=O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
32 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][Branch2][Branch1][C][C][C]",
"[C][C][=N][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch2][Ring1][#Branch1]",
"[C][C][=N][NH1][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][Ring2][Ring1][Branch2]"
],
"smiles": [
"CC1(C)OB(c2ccc3cc(NC(=O)c4ccsc4)ccc3c2)OC1(C)C",
"Cc1n[nH]c2ccc(Br)cc12",
"Cc1n[nH]c2ccc(-c3ccc4cc(NC(=O)c5ccsc5)ccc4c3)cc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
33 | {
"selfies": [
"[C][C][O][Ring1][Ring1]",
"[C][C][Branch1][C][C][Branch1][C][C][C][N]",
"[C][C][Branch1][C][C][Branch1][C][C][C][N][C][C][O]"
],
"smiles": [
"C1CO1",
"CC(C)(C)CN",
"CC(C)(C)CNCCO"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
34 | {
"selfies": [
"[O][C][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2]",
"[O][C][=C][C][=C][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C]",
"[C][=C][S][C][Branch2][Ring2][Ring1][C][=N][C][Branch2][Ring1][Branch2][C][C][O][C][=C][C][=C][Branch1][O][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][=C][=C][O][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][O]"
],
"smiles": [
"OCCc1coc(-c2cccs2)n1",
"Oc1ccc(CCCn2ccnc2)cc1",
"c1csc(-c2nc(CCOc3ccc(CCCn4ccnc4)cc3)co2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
35 | {
"selfies": [
"[C][C][I]",
"[N][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring1][#C][N]"
],
"smiles": [
"CCI",
"Nc1c(CC(=O)O)cccc1C(=O)c1ccc(Br)cc1",
"CCOC(=O)Cc1cccc(C(=O)c2ccc(Br)cc2)c1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
36 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[O][C][C][O][C][C][Branch1][C][F][F]",
"[C][C][=C][C][=C][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][O][C][C][Branch1][C][F][F][C][=C][Ring1][P]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)Cl)cc1",
"OCCOCC(F)F",
"Cc1ccc(S(=O)(=O)OCCOCC(F)F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
37 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Branch1][O][C][C][Cl][C][=C][Ring1][N][NH1][Ring1][#C]",
"[C][O][C][=C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][C][=Ring1][Branch2][C][=C][Ring1][N][O][C][C][Cl]"
],
"smiles": [
"COC(=O)c1cc2cc(OC)c(OCCCl)cc2[nH]1",
"COc1cc2cc(C(=O)O)[nH]c2cc1OCCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
38 | {
"selfies": [
"[N-1][=N+1][=N][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch2][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]",
"[N][C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch2][Ring1][#Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]"
],
"smiles": [
"[N-]=[N+]=NCCOc1ccc(C(=C(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)cc1",
"NCCOc1ccc(C(=C(c2ccc(F)cc2)C(F)(F)F)c2ccccc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
39 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[O][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[O][C][C][=C][C][=C][C][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][=C][Ring1][P]"
],
"smiles": [
"FC(F)(F)c1ccc(Cl)nc1",
"OCc1cccc(O)c1",
"OCc1cccc(Oc2ccc(C(F)(F)F)cn2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
40 | {
"selfies": [
"[C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][N][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][N]",
"[C][N][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][C][C][Branch2][Ring1][Branch2][C][C][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CN(C(=O)CC(CCOS(C)(=O)=O)c1ccccc1)c1ccc(Cl)cc1",
"OC1(c2ccccc2)CCNCC1",
"CN(C(=O)CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
41 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][Ring2][C][C][Br][C][=C][Ring1][=Branch2]",
"[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][C][N][C][C][C][Ring1][O][Ring1][=Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][#Branch2][C][Ring1][=C][C][=C][Ring2][Ring1][=Branch1]"
],
"smiles": [
"O=[N+]([O-])c1ccc(CCBr)cc1",
"c1ccc2c(c1)CCC1CNCCC21",
"O=[N+]([O-])c1ccc(CCN2CCC3c4ccccc4CCC3C2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
42 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][O][N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][NH1][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1N",
"O=S(=O)(Cl)c1ccccc1",
"CCOC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1NS(=O)(=O)c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
43 | {
"selfies": [
"[N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][C][Cl]",
"[O][=C][Branch1][Ring2][C][C][Cl][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]"
],
"smiles": [
"Nc1cccc(F)c1",
"O=C(Cl)CCCl",
"O=C(CCCl)Nc1cccc(F)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl.O .",
"role": "assistant"
}
] | |
44 | {
"selfies": [
"[C][N][C][Branch1][C][Cl][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Ring1][=N][=O]",
"[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][N][C][Ring1][=Branch1]",
"[C][N][C][Branch2][Ring1][Branch2][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][C][Ring2][Ring1][O][=O]"
],
"smiles": [
"Cn1c(Cl)nc(-c2ccncc2)cc1=O",
"O=C(Nc1ccccc1)C1CCCNC1",
"Cn1c(N2CCCC(C(=O)Nc3ccccc3)C2)nc(-c2ccncc2)cc1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
45 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]",
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][C][=C][Ring1][P][N][Ring2][Ring1][Ring2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2]"
],
"smiles": [
"CCOC(=O)c1cc2c([N+](=O)[O-])c(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)cc1",
"CCOC(=O)c1cc2c(N)c(-c3ccc(OC(C)C)cc3)ccc2n1-c1ccc(OC(C)C)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CCOC(C)=O .",
"role": "assistant"
}
] | |
46 | {
"selfies": [
"[C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][Ring1][P]",
"[C][C][C][N][C][C][N][Ring1][=Branch1]",
"[C][C][C][N][Branch2][Ring2][Branch1][C][=C][Branch1][C][F][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][C][F][C][C][N][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CC(C)n1cc(C(=O)O)c(=O)c2cc(F)c(F)c(F)c21",
"CC1CNCCN1",
"CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2F)CCN1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
47 | {
"selfies": [
"[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch1][C][N][=C][Ring1][#Branch2]",
"[C][O][C][=C][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][Ring1][O][O][C]",
"[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][Branch2][Ring1][Branch2][N][C][=N][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"CNS(=O)(=O)c1ccc(N(C)C)c(N)c1",
"COc1cc2ncnc(Cl)c2cc1OC",
"CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3cc(OC)c(OC)cc23)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC(C)O .",
"role": "assistant"
}
] | |
48 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[N][#C][Cu]",
"[C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=C][Ring1][=Branch2]"
],
"smiles": [
"Cc1ccc(Br)c(Cl)c1",
"N#C[Cu]",
"Cc1ccc(C#N)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CN(C)C=O .",
"role": "assistant"
}
] | |
49 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C]",
"[C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)CC(=O)CCc1ccc(OCc2ccccc2)cc1",
"CC(=O)CC(=O)CCc1ccc(O)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
50 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)nc1",
"O=C(O)C(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)nc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
51 | {
"selfies": [
"[C][C][C][N][C][Ring1][Branch1]",
"[N][C][=C][C][=C][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][C][Branch1][C][Br][=C][Ring1][Branch2][C][=C][Ring1][P]",
"[N][C][=C][C][=C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"C1CCNC1",
"Nc1ccc(S(=O)(=O)c2cc(Br)nc(Br)c2)cc1",
"Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
52 | {
"selfies": [
"[N][C][=C][C][=C][Branch2][Ring2][Branch1][N][N][=C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2]",
"[O][=C][Branch1][C][Cl][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][Branch1][N][N][=C][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=C][Ring1][=C][C][Ring2][Ring1][Ring1][=O][C][=C][Ring2][Ring1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"Nc1ccc(-n2ncn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1",
"O=C(Cl)Oc1ccccc1",
"O=C(Nc1ccc(-n2ncn(-c3ccc(OCC(F)(F)C(F)F)cc3)c2=O)cc1)Oc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
53 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O]",
"[N]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][O][C][C][Branch1][C][N][C][Branch1][C][N][=O][=C][C][=C][Ring1][N][O]"
],
"smiles": [
"COC(=O)C(N)Cc1ccc(O)c(C(C)(C)C)c1",
"N",
"CC(C)(C)c1cc(CC(N)C(N)=O)ccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO .",
"role": "assistant"
}
] | |
54 | {
"selfies": [
"[N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][O][F]",
"[N][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][=Branch2][N]"
],
"smiles": [
"Nc1c([N+](=O)[O-])cc(F)c(Cl)c1F",
"Nc1cc(F)c(Cl)c(F)c1N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
55 | {
"selfies": [
"[Cl][C][=C][C][=C][C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][=C][Ring1][#C]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][C][=C][Ring1][=N][Ring1][S]"
],
"smiles": [
"Clc1cccc(-c2ccc3[nH]ccc3c2)c1",
"O=S(=O)(Cl)c1ccccc1",
"O=S(=O)(c1ccccc1)n1ccc2cc(-c3cccc(Cl)c3)ccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
56 | {
"selfies": [
"[C][N][C]",
"[C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring1][=C][C][=C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][=C][Ring1][#Branch2][=N][Ring1][S][=N][Ring2][Ring1][S]",
"[C][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][N][=N][Ring2][Ring1][C][=N][Ring2][Ring2][C]"
],
"smiles": [
"CNC",
"Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)Cl)c3)n2)n1",
"Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)N(C)C)c3)n2)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
57 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]",
"[O][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring1][=N]"
],
"smiles": [
"CCOC(=O)C(F)(F)c1ccc(-c2ccc(Br)cc2)cc1",
"OCC(F)(F)c1ccc(-c2ccc(Br)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
58 | {
"selfies": [
"[C][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][O][Ring2][Ring1][=Branch1]",
"[C][C][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][O][Ring1][#C]"
],
"smiles": [
"CCC1CN(C(C)(C)C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1",
"CCC1CN(C(C)(C)C)CC2(CCNCC2)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
59 | {
"selfies": [
"[N][O]",
"[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O]"
],
"smiles": [
"NO",
"O=Cc1ccccc1[N+](=O)[O-]",
"O=[N+]([O-])c1ccccc1C=NO"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO.O .",
"role": "assistant"
}
] | |
60 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][C][=C][Ring1][O][O][C][C][C][N][C][C][C][C][Ring1][Branch1]",
"[C][N][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch2][Ring1][C][O][C][=C][C][=C][C][Branch1][#Branch1][C][=C][N][Ring1][Branch1][C][=C][Ring1][#Branch2][N][=C][N][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1]"
],
"smiles": [
"COc1cc2c(Cl)ncnc2cc1OCCCN1CCCC1",
"Cn1ccc2cc(O)ccc21",
"COc1cc2c(Oc3ccc4c(ccn4C)c3)ncnc2cc1OCCCN1CCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CC(=O)N(C)C .",
"role": "assistant"
}
] | |
61 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=C][C][Branch1][C][N][=N][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][S][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][O][C][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][Cl][=C][Ring1][O][=N][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)OCCn1ccc(N)n1",
"CS(=O)(=O)c1ccc(C(CC2CCOC2)C(=O)O)cc1Cl",
"CC(C)(C)[Si](C)(C)OCCn1ccc(NC(=O)C(CC2CCOC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
62 | {
"selfies": [
"[C][C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]",
"[C][C][Branch1][C][N][C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=N][Ring1][=Branch1]"
],
"smiles": [
"CC(c1cc2c(Cl)cccc2nc1-c1ccccn1)N1C(=O)c2ccccc2C1=O",
"CC(N)c1cc2c(Cl)cccc2nc1-c1ccccn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
63 | {
"selfies": [
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][C][N][C][Ring1][Ring2]",
"[O][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Branch1][C][O][C][Ring1][Branch1]"
],
"smiles": [
"O=C(Cl)OCc1ccccc1",
"OC1CNC1",
"O=C(OCc1ccccc1)N1CC(O)C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
64 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)O",
"OCc1ccccc1",
"CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
65 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][=C][Branch2][Ring1][C][N][C][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][N][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CS(=O)(=O)Cl",
"O=C(NC1CCCc2c1cnn2CCO)OCc1ccccc1",
"CS(=O)(=O)OCCn1ncc2c1CCCC2NC(=O)OCc1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
66 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][S][C][Branch2][Ring1][#C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2]",
"[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Ring1][=Branch1][S][C][Ring2][Ring1][#Branch2]",
"[C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][Branch2][=N][O][C][Branch1][C][C][=O][C][=C][S][C][Branch2][Ring1][#C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch2][C][Ring2][Ring2][#Branch1][S][C][Ring2][Branch1][O]"
],
"smiles": [
"CC(=O)ON=C(C(=O)O)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1",
"CC(=O)OCC=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(N)C2SC1",
"CC(=O)OCC=CC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)C(NC(=O)C(=NOC(C)=O)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C2SC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1.CCOC(C)=O .",
"role": "assistant"
}
] | |
67 | {
"selfies": [
"[N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[O][=C][=N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][=N][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]"
],
"smiles": [
"NCc1ccccn1",
"O=C=NCCCc1ccccc1",
"O=C(NCCCc1ccccc1)NCc1ccccn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1.c1ccccc1 .",
"role": "assistant"
}
] | |
68 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][C][Ring1][=Branch1]"
],
"smiles": [
"COC(=O)C1=CC=CCC1",
"O=C(O)C1=CC=CCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
69 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][O][N][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][S][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C][=C][S][C][Branch1][Ring2][N][C][=O][=N][Ring1][Branch2]",
"[O][=C][N][C][=N][C][Branch2][Branch1][#Branch2][C][=Branch1][=Branch2][=N][O][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][C][S][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][=C][S][Ring2][Ring2][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CCSC12)c1csc(NC=O)n1",
"O=CNc1nc(C(=NOCC(=O)O)C(=O)NC2C(=O)N3C(C(=O)OCc4ccc([N+](=O)[O-])cc4)=CCSC23)cs1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "COc1ccccc1 .",
"role": "assistant"
}
] | |
70 | {
"selfies": [
"[C][C][C][O][C][C][C][N][C][C][Ring1][=Branch1]",
"[C][C][Branch1][Ring1][C][I][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]",
"[C][C][C][O][C][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CCCOC1CCNCC1",
"CC(CI)CN1C(=O)CCc2ccccc21",
"CCCOC1CCN(CC(C)CN2C(=O)CCc3ccccc32)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
71 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][O][S][N][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Ring1][=N]",
"[C][C][O][C][=Branch1][C][=O][C][=N][N][Branch1][#C][C][=C][C][=C][Branch1][Branch1][O][O][S][N][C][=C][Ring1][#Branch2][C][=C][Ring1][#C][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Ring1][O]"
],
"smiles": [
"CCOC(=O)c1nn(-c2ccc(OOSN)cc2)c2c1CCc1ccc([N+](=O)[O-])cc1-2",
"CCOC(=O)c1nn(-c2ccc(OOSN)cc2)c2c1CCc1ccc(N)cc1-2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
72 | {
"selfies": [
"[C][C][O][C][=C][C][Branch2][Ring1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][=N][NH1][Ring1][S]",
"[C][C][Branch1][C][N][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1]",
"[C][C][O][C][=C][C][Branch2][Ring1][P][N][C][=N][C][Branch1][P][N][C][Branch1][C][C][C][=N][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][=C][C][=C][Ring1][S][N+1][=Branch1][C][=O][O-1][=N][NH1][Ring2][Ring1][=Branch2]"
],
"smiles": [
"CCOc1cc(Nc2nc(Cl)ccc2[N+](=O)[O-])n[nH]1",
"CC(N)c1ncc(F)cn1",
"CCOc1cc(Nc2nc(NC(C)c3ncc(F)cn3)ccc2[N+](=O)[O-])n[nH]1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCCCO.CCOC(C)=O .",
"role": "assistant"
}
] | |
73 | {
"selfies": [
"[C][N][Branch1][Ring2][C][C][N][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]",
"[C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]"
],
"smiles": [
"CN(CCN)CCNC(=O)OC(C)(C)C",
"O=C(O)c1ccccc1O",
"CN(CCNC(=O)OC(C)(C)C)CCNC(=O)c1ccccc1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CC#N.CCOC(C)=O .",
"role": "assistant"
}
] | |
74 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(CO)CC1",
"CS(=O)(=O)Cl",
"CC(C)(C)OC(=O)N1CCC(COS(C)(=O)=O)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be ClCCl .",
"role": "assistant"
}
] | |
75 | {
"selfies": [
"[N-1][=N+1][=N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]",
"[N][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][=Branch1][C][=O][O][Ring1][=N]"
],
"smiles": [
"[N-]=[N+]=NCC1CN(c2ccc(Cl)cn2)C(=O)O1",
"NCC1CN(c2ccc(Cl)cn2)C(=O)O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
76 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][Branch1][=N][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2]",
"[C][O][C][=Branch1][C][=O][C][C][N]",
"[C][O][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CC(C)CC(Sc1ccc(Br)cc1)c1ccc(C(=O)O)cc1",
"COC(=O)CCN",
"COC(=O)CCNC(=O)c1ccc(C(CC(C)C)Sc2ccc(Br)cc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
77 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][C][Branch2][Ring2][#Branch1][C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][=C][Ring2][Ring1][C][C][C][=C][C][Ring2][Ring1][=Branch2][S][Ring2][Ring1][=C]",
"[C][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][Branch1][#C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][Ring1][Branch2][C][C][=C][C][Ring1][=N][=C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]"
],
"smiles": [
"COC(=O)c1ccc(C2(COc3cc(C)c(-c4ccc(C(F)(F)F)cc4)c(C)c3)CC=CC2)s1",
"Cc1cc(OCC2(c3ccc(C(=O)O)s3)CC=CC2)cc(C)c1-c1ccc(C(F)(F)F)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
78 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][O][C][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][=N][C][=Ring1][=C][C][Branch1][C][N][=O][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N]",
"[N][C][=Branch1][C][=O][C][N][=C][Branch1][=C][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1][O][C][=Ring1][=C][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN(c2ccc(-c3oc(-c4cccc5[nH]ccc45)nc3C(N)=O)cc2)CC1",
"NC(=O)c1nc(-c2cccc3[nH]ccc23)oc1-c1ccc(N2CCNCC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO.ClCCl .",
"role": "assistant"
}
] | |
79 | {
"selfies": [
"[Br][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch2][Ring2][N][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][O][C][=C][Ring2][Ring1][P]"
],
"smiles": [
"BrCCc1ccccc1",
"Cc1ccc(-c2cc(C(=O)CC3CCNCC3)c3ccccc3n2)cc1",
"Cc1ccc(-c2cc(C(=O)CC3CCN(CCc4ccccc4)CC3)c3ccccc3n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
80 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][=C][Branch2][Ring1][N][N][Branch1][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][C][Ring1][=C][C][Ring2][Ring1][Branch1]",
"[C][N][C][=C][Branch2][Ring1][#Branch1][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P][C][C][Branch1][Ring1][C][O][C][Ring2][Ring1][Branch1]"
],
"smiles": [
"CCOC(=O)C1Cc2c(n(C)c3ccc(OCc4ccccc4)cc23)C1",
"Cn1c2c(c3cc(OCc4ccccc4)ccc31)CC(CO)C2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
81 | {
"selfies": [
"[C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]"
],
"smiles": [
"CCC(C(=O)O)c1ccc(OC)cc1",
"O=C(Cl)C(=O)Cl",
"CCC(C(=O)Cl)c1ccc(OC)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
82 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]",
"[O][=C][C][=C][C][=C][Branch2][Ring2][N][O][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=N][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=N][S][Ring1][O][C][Branch1][O][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P]",
"[C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][=C][C][=N][S][C][Branch2][Ring2][Ring1][N][C][=N][C][=C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][C][=C][Ring1][#C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][=N][C][C][Ring2][Ring2][Ring1]"
],
"smiles": [
"CC(=O)OC(C)=O",
"O=Cc1ccc(Oc2cnc(Nc3nc(C4CCNCC4)ns3)c(Sc3ccccc3Cl)c2)cc1",
"CC(=O)N1CCC(c2nsc(Nc3ncc(Oc4ccc(C=O)cc4)cc3Sc3ccccc3Cl)n2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
83 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=C][Branch2][Ring1][O][C][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][O]",
"[C][C][=C][Branch2][Ring1][O][C][C][N][=C][N][Branch1][C][C][C][=Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][Ring2][Ring1][#Branch2][C][C][=Branch1][C][=O][O]"
],
"smiles": [
"COC(=O)Cn1c(C)c(Cc2ncn(C)c2S(=O)(=O)c2ccccc2)c2cc(F)ccc21",
"Cc1c(Cc2ncn(C)c2S(=O)(=O)c2ccccc2)c2cc(F)ccc2n1CC(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: C1CCOC1 .",
"role": "assistant"
}
] | |
84 | {
"selfies": [
"[C][=C][C][=C][C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][Ring1][N][S][Branch1][C][C][=Branch1][C][=O][=O]",
"[C][=C][C][=C][C][Branch1][Ring1][C][N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][N][S][Branch1][C][C][=Branch1][C][=O][=O]"
],
"smiles": [
"C=Cc1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1NS(C)(=O)=O",
"C=Cc1cc(CN)cc(C(F)(F)F)c1NS(C)(=O)=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClCCl .",
"role": "assistant"
}
] | |
85 | {
"selfies": [
"[O][=C][Branch1][C][O-1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]",
"[O][=C][Branch1][C][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][O][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"O=C([O-])CCS(=O)(=O)NC1C=Nc2ccccc2N1OC(c1cccnc1)C(F)(F)F",
"O=C(O)CCS(=O)(=O)NC1C=Nc2ccccc2N1OC(c1cccnc1)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CO .",
"role": "assistant"
}
] | |
86 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][#C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][Ring1][O][C][C][C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring1]",
"[C][O][C][Branch2][Ring1][#C][C][=C][C][=C][Branch2][Ring1][Ring1][C][#C][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][Branch1]"
],
"smiles": [
"COC(=O)Cc1ccc(C#Cc2ccc(C3(OC)CC3)cc2)cc1",
"COC1(c2ccc(C#Cc3ccc(CC(=O)O)cc3)cc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO .",
"role": "assistant"
}
] | |
87 | {
"selfies": [
"[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][C][C][Ring1][=Branch1]",
"[Cl][C][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1]",
"[C][C][Branch1][C][O][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][N][Branch1][=N][C][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][Ring1][=C]"
],
"smiles": [
"CC(O)(c1ccc(F)cc1)C1CCNCC1",
"ClCCc1ccc(Cl)s1",
"CC(O)(c1ccc(F)cc1)C1CCN(CCc2ccc(Cl)s2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CC#N .",
"role": "assistant"
}
] | |
88 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][C][O][Ring1][Ring1]",
"[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring1][Ring1][C][C][=N][N][Branch1][#Branch2][C][C][C][C][N][C][C][Ring1][=Branch1][C][=Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Branch2][Ring2][Ring2][C][C][=N][N][Branch2][Ring1][=Branch2][C][C][C][C][N][Branch1][=C][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N][C][=Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Ring2][Ring1][=N]"
],
"smiles": [
"FC(F)(F)C1CO1",
"O=S(=O)(c1ccccc1)n1cc(-c2cnn(CC3CCNCC3)c2)c2ccc(F)cc21",
"O=S(=O)(c1ccccc1)n1cc(-c2cnn(CC3CCN(CC(O)C(F)(F)F)CC3)c2)c2ccc(F)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
89 | {
"selfies": [
"[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][S][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=C][Ring2][Ring1][O][Cl]",
"[C][C][C][C][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][=C][Ring2][Ring1][Ring2][Cl]"
],
"smiles": [
"CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)OCc3ccccc3)cc2C(=O)OCC)c(C)c1Cl",
"CCCCN(CCCC)C(=O)c1nn(-c2ccc(C(=O)O)cc2C(=O)OCC)c(C)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO .",
"role": "assistant"
}
] | |
90 | {
"selfies": [
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[O][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[O][=S][=Branch1][C][=O][Branch1][#C][O][C][=C][C][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"Oc1ccc2ccoc2c1",
"O=S(=O)(Oc1ccc2ccoc2c1)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl.O .",
"role": "assistant"
}
] | |
91 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][O][C][O][C]",
"[C][O][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][C][=C][Ring1][Branch2][C][O]"
],
"smiles": [
"CCOC(=O)c1cc(Br)c(Cl)cc1OCOC",
"COCOc1cc(Cl)c(Br)cc1CO"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
92 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N]",
"[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][C][N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][O]"
],
"smiles": [
"COc1ccc(C=Cc2nc(N3CCOCC3)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1",
"COc1ccc(C=Cc2nc(N3CCOCC3)c(N)c(N3CCOCC3)n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CC#N.O .",
"role": "assistant"
}
] | |
93 | {
"selfies": [
"[C][C][O][C][C][N][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C][C][C][Cl]",
"[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][=C][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][O][C][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]"
],
"smiles": [
"C1COCCN1",
"COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCCl",
"COc1cc2c(Oc3ccc(C)cc3C(=O)c3ccccc3)ccnc2cc1OCCCCN1CCOCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
94 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br]",
"[C][O][C][=C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=C][Br]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"COc1cc(O)ccc1Br",
"COc1cc(O[Si](C)(C)C(C)(C)C)ccc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl.O .",
"role": "assistant"
}
] | |
95 | {
"selfies": [
"[N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][C][N][C][C][N][Branch1][=C][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][Br]"
],
"smiles": [
"Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1",
"O=C1CCC(=O)N1Br",
"Nc1ccc(CCN2CCN(c3nsc4ccccc34)CC2)cc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
96 | {
"selfies": [
"[C][N][Branch1][#C][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][N][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]"
],
"smiles": [
"CN(Cc1nc2cccnc2[nH]1)C(=O)OCc1ccccc1",
"CNCc1nc2cccnc2[nH]1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
97 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][C][C][Ring2][Ring1][O]",
"[N][C][Branch2][Ring2][Branch2][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][Branch1][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C][C][C][Ring2][Ring1][O]"
],
"smiles": [
"CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1",
"NC1(c2ccc(-c3nc4c(cc3-c3ccccc3)C(=O)COC4)cc2)CCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
98 | {
"selfies": [
"[C][=C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C]",
"[C][C][C][C][=C][Branch1][C][O][C][=C][Branch1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][O][C]"
],
"smiles": [
"C=CCc1c(O)cc(O)c(C)c1C(=O)OC",
"CCCc1c(O)cc(O)c(C)c1C(=O)OC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
99 | {
"selfies": [
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring2][#Branch1][C][=N][C][Branch2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=N][C][=N][C][=C][Ring2][Ring1][Branch1][C][N][Branch1][C][C][C][=Ring2][Ring1][N]",
"[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=N][C][=C][Ring1][P][C][N][Branch1][C][C][C][=Ring2][Ring1][Branch2]"
],
"smiles": [
"CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(C(=O)OC(C)(C)C)cc3C)ncc2C)n(C)c1",
"CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(C(=O)O)cc3C)ncc2C)n(C)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl.O=C(O)C(F)(F)F .",
"role": "assistant"
}
] |
End of preview. Expand
in Dataset Viewer.
Reaction Condition Prediction Dataset (Solvent Prediction)
- molecule representation format: 1D SMILES
- will further encode into 2D graph features
For Detail, refer to PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes: https://arxiv.org/pdf/2406.13193
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