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12
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int64
1.98k
2.02k
reactions
stringlengths
20
1.76k
canonical_reactions
stringlengths
20
1.76k
US03930836
1,976
CCOCC.CCS(=O)(=O)Cl.OCCBr>C(N(CC)CC)C>CCS(=O)(=O)OCCBr
CCOCC.CCS(=O)(=O)Cl.OCCBr>C(N(CC)CC)C>CCS(=O)(=O)OCCBr
US03930836
1,976
CCOCC.CS(=O)(=O)Cl.OCCCBr>C(N(CC)CC)C>CS(=O)(=O)OCCCBr
CCOCC.CS(=O)(=O)Cl.OCCCBr>C(N(CC)CC)C>CS(=O)(=O)OCCCBr
US03930836
1,976
CC(C)CS(=O)(=O)Cl.CCOCC.OCCCl>C(N(CC)CC)C>CC(C)CS(=O)(=O)OCCCl
CC(C)CS(=O)(=O)Cl.CCOCC.OCCCl>C(N(CC)CC)C>CC(C)CS(=O)(=O)OCCCl
US03930839
1,976
CCOCC.CCS(=O)(=O)Cl.OCCBr>C(N(CC)CC)C>CCS(=O)(=O)OCCBr
CCOCC.CCS(=O)(=O)Cl.OCCBr>C(N(CC)CC)C>CCS(=O)(=O)OCCBr
US03930839
1,976
CCOCC.CS(=O)(=O)Cl.OCCCBr>C(N(CC)CC)C>CS(=O)(=O)OCCCBr
CCOCC.CS(=O)(=O)Cl.OCCCBr>C(N(CC)CC)C>CS(=O)(=O)OCCCBr
US03930839
1,976
CC(C)CS(=O)(=O)Cl.CCOCC.OCCCl>C(N(CC)CC)C>CC(C)CS(=O)(=O)OCCCl
CC(C)CS(=O)(=O)Cl.CCOCC.OCCCl>C(N(CC)CC)C>CC(C)CS(=O)(=O)OCCCl
US03930837
1,976
O.O=[N+]([O-])c1cccc2cnc(Cl)cc12.[Na+].[OH-]>C(O)(=O)C.[Fe]>Nc1cccc2cnc(Cl)cc12
O.O=[N+]([O-])c1cccc2cnc(Cl)cc12.[Na+].[OH-]>C(O)(=O)C.[Fe]>Nc1cccc2cnc(Cl)cc12
US03930837
1,976
Cc1cc2c([N+](=O)[O-])cccc2c[n+]1[O-].O=P(Cl)(Cl)Cl>>Cc1cc2c([N+](=O)[O-])cccc2c(Cl)n1
Cc1cc2c([N+](=O)[O-])cccc2c[n+]1[O-].O=P(Cl)(Cl)Cl>>Cc1cc2c([N+](=O)[O-])cccc2c(Cl)n1
US03930837
1,976
Cc1cc2c([N+](=O)[O-])cccc2cn1.Cl>>Cc1cc2c([N+](=O)[O-])cccc2cn1.Cl
Cc1cc2c([N+](=O)[O-])cccc2cn1.Cl>>Cc1cc2c([N+](=O)[O-])cccc2cn1.Cl
US03930837
1,976
Cc1cc2c([N+](=O)[O-])cccc2cn1.Clc1nccc2ccccc12>>Cl.Clc1nccc2ccccc12
Cc1cc2c([N+](=O)[O-])cccc2cn1.Clc1nccc2ccccc12>>Cl.Clc1nccc2ccccc12
US03930837
1,976
Cc1cc2c([N+](=O)[O-])cccc2cn1.Cc1cc2c([N+](=O)[O-])cccc2cn1.Cl.I.O=[N+]([O-])c1ccc(Cl)c2ccncc12>>I.O=[N+]([O-])c1ccc(Cl)c2ccncc12
Cc1cc2c([N+](=O)[O-])cccc2cn1.Cc1cc2c([N+](=O)[O-])cccc2cn1.Cl.I.O=[N+]([O-])c1ccc(Cl)c2ccncc12>>I.O=[N+]([O-])c1ccc(Cl)c2ccncc12
US03930837
1,976
Br.O=[N+]([O-])c1cccc2cnccc12>C(O)C>Br.O=[N+]([O-])c1cccc2cnccc12
Br.O=[N+]([O-])c1cccc2cnccc12>C(O)C>Br.O=[N+]([O-])c1cccc2cnccc12
US03930837
1,976
Br.Cc1nccc2ccccc12.O=[N+]([O-])c1cccc2cnccc12.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl>>Cc1[nH+]ccc2ccccc12.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
Br.Cc1nccc2ccccc12.O=[N+]([O-])c1cccc2cnccc12.Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl>>Cc1[nH+]ccc2ccccc12.[O-]c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
US03930837
1,976
Br.I.Nc1cccc2cnccc12.O=[N+]([O-])c1cccc2cnccc12>>I.I.Nc1cccc2cnccc12
Br.I.Nc1cccc2cnccc12.O=[N+]([O-])c1cccc2cnccc12>>I.I.Nc1cccc2cnccc12
US03930952
1,976
CCCCC[C@H](O)C=CC1C=CC(=O)C1CC=CCCCC(=O)O.Cl>C(O)C>CCCCC[C@H](O)C=CC1CCC(=O)C1CC=CCCCC(=O)O
CCCCC[C@H](O)C=CC1C=CC(=O)C1CC=CCCCC(=O)O.Cl>C(O)C>CCCCC[C@H](O)C=CC1CCC(=O)C1CC=CCCCC(=O)O
US03930949
1,976
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(OC(C)=O)c3ccccc3)[C@H]2SC1>O>CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(OC(C)=O)c3ccccc3)[C@H]2SC1>O>CC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1
US03930988
1,976
O=S(=O)([O-])[O-].[NH4+].[NH4+]>O>O=S(=O)([O-])O.O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+]
O=S(=O)([O-])[O-].[NH4+].[NH4+]>O>O=S(=O)([O-])O.O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+]
US03930835
1,976
CCOc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.COc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.ClC(Cl)(Cl)CC1(c2ccc(Br)cc2)CO1.ClC(Cl)(Cl)CC1(c2cccc(OCc3ccccc3)c2)CO1.Clc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1.Clc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1Cl.Clc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.Fc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1>>ClC(Cl)(Cl)CC1(c2cccc(Br)c2)CO1
CCOc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.COc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.ClC(Cl)(Cl)CC1(c2ccc(Br)cc2)CO1.ClC(Cl)(Cl)CC1(c2cccc(OCc3ccccc3)c2)CO1.Clc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1.Clc1ccc(C2(CC(Cl)(Cl)Cl)CO2)cc1Cl.Clc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1.Fc1cccc(C2(CC(Cl)(Cl)Cl)CO2)c1>>ClC(Cl)(Cl)CC1(c2cccc(Br)c2)CO1
US03931083
1,976
C=O.O=S([O-])[O-].Oc1ccccc1.[Na+].[Na+]>O>O=S(=O)([O-])C(O)c1ccccc1.[Na+]
C=O.O=S([O-])[O-].Oc1ccccc1.[Na+].[Na+]>O>O=S(=O)([O-])C(O)c1ccccc1.[Na+]
US03931103
1,976
COc1cc2ccccc2cc1C(=O)O.O=S(Cl)Cl>C1C=CC=CC=1>COc1cc2ccccc2cc1C(=O)Cl
COc1cc2ccccc2cc1C(=O)O.O=S(Cl)Cl>C1C=CC=CC=1>COc1cc2ccccc2cc1C(=O)Cl
US03931108
1,976
CCN(CC)CC.ClCCl.O.O=C(Cl)Oc1ccccc1.[Na+].[OH-]>>Oc1ccccc1Cc1ccccc1O
CCN(CC)CC.ClCCl.O.O=C(Cl)Oc1ccccc1.[Na+].[OH-]>>Oc1ccccc1Cc1ccccc1O
US03931113
1,976
CCOC(N)=O.Cc1ccc(N=C=O)cc1N=C=O>>O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
CCOC(N)=O.Cc1ccc(N=C=O)cc1N=C=O>>O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1
US03931139
1,976
C(=NC1CCCCC1)=NC1CCCCC1.CCCN.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1.On1nnc2ccccc21>O1CCCC1>CCC[NH-].O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
C(=NC1CCCCC1)=NC1CCCCC1.CCCN.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1.On1nnc2ccccc21>O1CCCC1>CCC[NH-].O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
US03931139
1,976
CCCCCCN.CCOC(=O)Cl.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1>O1CCCC1>CCCCCC[NH-].O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
CCCCCCN.CCOC(=O)Cl.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1>O1CCCC1>CCCCCC[NH-].O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1
US03931152
1,976
CCO.CSC1=NCCCCN1.I.NN.O>CCOCC>I.NNC1=NCCCCN1
CCO.CSC1=NCCCCN1.I.NN.O>CCOCC>I.NNC1=NCCCCN1
US03931151
1,976
CN1c2ccccc2CC(=O)c2ccccc21.O=C1CCC(=O)N1Br>CN(C)C=O>CN1c2ccccc2CC(=O)c2cc(Br)ccc21
CN1c2ccccc2CC(=O)c2ccccc21.O=C1CCC(=O)N1Br>CN(C)C=O>CN1c2ccccc2CC(=O)c2cc(Br)ccc21
US03931151
1,976
CCO.CCOC([O-])[O-].CN1c2ccccc2CC(=O)c2cc(Br)ccc21.Cc1ccc(S(=O)(=O)O)cc1>C(N(CC)CC)C>CCOC1=Cc2ccccc2N(C)c2ccc(Br)cc21
CCO.CCOC([O-])[O-].CN1c2ccccc2CC(=O)c2cc(Br)ccc21.Cc1ccc(S(=O)(=O)O)cc1>C(N(CC)CC)C>CCOC1=Cc2ccccc2N(C)c2ccc(Br)cc21
US03931151
1,976
CCOC(=O)CC1(O)Cc2ccccc2N(C)c2ccc(SCC)cc21.Cl>C(O)C>CCOC(=O)C=C1Cc2ccccc2N(C)c2ccc(SCC)cc21
CCOC(=O)CC1(O)Cc2ccccc2N(C)c2ccc(SCC)cc21.Cl>C(O)C>CCOC(=O)C=C1Cc2ccccc2N(C)c2ccc(SCC)cc21
US03931151
1,976
CCOC(=O)C=C1Cc2ccccc2N(C)c2ccc(SCC)cc21.Cl.[K+].[OH-]>C(O)C>CCSc1ccc2c(c1)C(CC(=O)O)=Cc1ccccc1N2C
CCOC(=O)C=C1Cc2ccccc2N(C)c2ccc(SCC)cc21.Cl.[K+].[OH-]>C(O)C>CCSc1ccc2c(c1)C(CC(=O)O)=Cc1ccccc1N2C
US03931151
1,976
C(=NC1CCCCC1)=NC1CCCCC1.CCOC(C)=O.CCSc1ccc2c(c1)C(CC(=O)O)=Cc1ccccc1N2C.O=[N+]([O-])c1ccc(O)cc1>>CCSc1ccc2c(c1C)C(C(=O)Oc1ccc([N+](=O)[O-])cc1)=Cc1ccccc1N2C
C(=NC1CCCCC1)=NC1CCCCC1.CCOC(C)=O.CCSc1ccc2c(c1)C(CC(=O)O)=Cc1ccccc1N2C.O=[N+]([O-])c1ccc(O)cc1>>CCSc1ccc2c(c1C)C(C(=O)Oc1ccc([N+](=O)[O-])cc1)=Cc1ccccc1N2C
US03931151
1,976
CCSc1ccc2c(c1)C(CC(=O)Oc1ccc([N+](=O)[O-])cc1)=Cc1ccccc1N2C.CNC.O>C(Cl)(Cl)Cl>CCSc1ccc2c(c1)C(CC(=O)N(C)C)=Cc1ccccc1N2C
CCSc1ccc2c(c1)C(CC(=O)Oc1ccc([N+](=O)[O-])cc1)=Cc1ccccc1N2C.CNC.O>C(Cl)(Cl)Cl>CCSc1ccc2c(c1)C(CC(=O)N(C)C)=Cc1ccccc1N2C
US03931151
1,976
CCOC(C)=O.CCSc1ccc2c(c1)C(CC(=O)N(C)C)=Cc1ccccc1N2C.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]>O1CCCC1>CCSc1ccc2c(c1)C(CCN(C)C)=Cc1ccccc1N2C
CCOC(C)=O.CCSc1ccc2c(c1)C(CC(=O)N(C)C)=Cc1ccccc1N2C.[Al+3].[H-].[H-].[H-].[H-].[Li+].[Na+].[OH-]>O1CCCC1>CCSc1ccc2c(c1)C(CCN(C)C)=Cc1ccccc1N2C
US03931151
1,976
CCSc1ccc2c(c1)C(CCN(C)C)=Cc1ccccc1N2C.Cl.O.OO.[Na+].[OH-]>C(O)(=O)C>CCS(=O)(=O)c1ccc2c(c1)C(CCN(C)C)=Cc1ccccc1N2C
CCSc1ccc2c(c1)C(CCN(C)C)=Cc1ccccc1N2C.Cl.O.OO.[Na+].[OH-]>C(O)(=O)C>CCS(=O)(=O)c1ccc2c(c1)C(CCN(C)C)=Cc1ccccc1N2C
US03931156
1,976
Nc1cc2c(cc1Br)nc1n2CCC1.O=C([O-])[O-].O=N[O-].[C-]#N.[K+].[Na+].[Na+].[Na+]>O.Cl>N#Cc1cc2c(cc1Br)nc1n2CCC1
Nc1cc2c(cc1Br)nc1n2CCC1.O=C([O-])[O-].O=N[O-].[C-]#N.[K+].[Na+].[Na+].[Na+]>O.Cl>N#Cc1cc2c(cc1Br)nc1n2CCC1
US03931156
1,976
Cl.Nc1ccc2nc3n(c2c1)CCC3.O=N[O-].[Na+]>O>Clc1ccc2nc3n(c2c1)CCC3
Cl.Nc1ccc2nc3n(c2c1)CCC3.O=N[O-].[Na+]>O>Clc1ccc2nc3n(c2c1)CCC3
US03931156
1,976
CC(=O)O.CCOC(=O)c1ccc2c(c1)nc1n2CCC1>C(O)C.[OH-].[Na+]>O=C(O)c1ccc2c(c1)nc1n2CCC1
CC(=O)O.CCOC(=O)c1ccc2c(c1)nc1n2CCC1>C(O)C.[OH-].[Na+]>O=C(O)c1ccc2c(c1)nc1n2CCC1
US03931156
1,976
CC(=O)OC(C)=O.Nc1ccc2nc3n(c2c1)CCC3>C1C=CC=CC=1>CC(=O)Nc1ccc2nc3n(c2c1)CCC3
CC(=O)OC(C)=O.Nc1ccc2nc3n(c2c1)CCC3>C1C=CC=CC=1>CC(=O)Nc1ccc2nc3n(c2c1)CCC3
US03931143
1,976
CC(C)(C)NN.Cl.O.O=C1CCCCC1.[C-]#N.[Na+]>C(O)C>CC(C)(C)NNC1(C#N)CCCCC1
CC(C)(C)NN.Cl.O.O=C1CCCCC1.[C-]#N.[Na+]>C(O)C>CC(C)(C)NNC1(C#N)CCCCC1
US03931143
1,976
CC(C)(C)NN.Cl.O=C1CCCCC1.[C-]#N.[Na+]>O.CCCCCC>CC(C)(C)NNC1(C#N)CCCCC1
CC(C)(C)NN.Cl.O=C1CCCCC1.[C-]#N.[Na+]>O.CCCCCC>CC(C)(C)NNC1(C#N)CCCCC1
US03931143
1,976
BrBr.CC1CC(C)(C)CC(C#N)(NNC(C)(C)C)C1>>CC1CC(C)(C)CC(C#N)(N=NC(C)(C)C)C1
BrBr.CC1CC(C)(C)CC(C#N)(NNC(C)(C)C)C1>>CC1CC(C)(C)CC(C#N)(N=NC(C)(C)C)C1
US03931143
1,976
C#N.CC(=NNC(C)(C)C)C1CC1>>CC(C)(C)NNC(C)(C#N)C1CC1
C#N.CC(=NNC(C)(C)C)C1CC1>>CC(C)(C)NNC(C)(C#N)C1CC1
US03931143
1,976
BrBr.CC(C)(C)NNC(C)(C#N)C1CC1.ClCCl>O>CC(C)(C)N=NC(C)(C#N)C1CC1
BrBr.CC(C)(C)NNC(C)(C#N)C1CC1.ClCCl>O>CC(C)(C)N=NC(C)(C#N)C1CC1
US03931143
1,976
CC(=O)C1CC1.CC(C)(C)NNC(C)(C#N)C1CC1.O=C1CCCCCCC1>>CC(C)(C)NNC1(C#N)CCCCCCC1
CC(=O)C1CC1.CC(C)(C)NNC(C)(C#N)C1CC1.O=C1CCCCCCC1>>CC(C)(C)NNC1(C#N)CCCCCCC1
US03931143
1,976
BrBr.CC(C)(C)NNC(C)(C#N)C1CC1.CC(C)(C)NNC1(C#N)CCCCCCC1>>CC(C)(C)N=NC1(C#N)CCCCCCC1
BrBr.CC(C)(C)NNC(C)(C#N)C1CC1.CC(C)(C)NNC1(C#N)CCCCCCC1>>CC(C)(C)N=NC1(C#N)CCCCCCC1
US03931143
1,976
CC(=O)C1CC1.CC(C)(C)NNC(C)(C#N)C1CC1.O=C1CCCCCC1>>CC(C)(C)NNC1(C#N)CCCCCC1
CC(=O)C1CC1.CC(C)(C)NNC(C)(C#N)C1CC1.O=C1CCCCCC1>>CC(C)(C)NNC1(C#N)CCCCCC1
US03931143
1,976
BrBr.CC(C)(C)NNC(C)(C#N)C1CC1.CC(C)(C)NNC1(C#N)CCCCCC1>>CC(C)(C)N=NC1(C#N)CCCCCC1
BrBr.CC(C)(C)NNC(C)(C#N)C1CC1.CC(C)(C)NNC1(C#N)CCCCCC1>>CC(C)(C)N=NC1(C#N)CCCCCC1
US03931143
1,976
CC(CC(C)C)=NNC(C)(C)C.CCN(CC)CC.ClCl>CCCCC>CC(C)CC(C)(Cl)N=NC(C)(C)C
CC(CC(C)C)=NNC(C)(C)C.CCN(CC)CC.ClCl>CCCCC>CC(C)CC(C)(Cl)N=NC(C)(C)C
US03931143
1,976
CCCCCCC(=O)CCCCCCCCCCC(=O)O.CCCCCCC(Cl)(CCCCCCCCCCC(=O)O)N=NC(C)(C)C.ClCl.[C-]#N.[Na+]>CCCCC.CO.O>CCCCCCC(C#N)(CCCCCCCCCCC(=O)O)N=NC(C)(C)C
CCCCCCC(=O)CCCCCCCCCCC(=O)O.CCCCCCC(Cl)(CCCCCCCCCCC(=O)O)N=NC(C)(C)C.ClCl.[C-]#N.[Na+]>CCCCC.CO.O>CCCCCCC(C#N)(CCCCCCCCCCC(=O)O)N=NC(C)(C)C
US03931143
1,976
CCOC(=O)CC(C)(C#N)N=NC(C)(C)C.O.[Na+].[OH-]>CO>CC(C)(C)N=NC(C)(C#N)CC(=O)O
CCOC(=O)CC(C)(C#N)N=NC(C)(C)C.O.[Na+].[OH-]>CO>CC(C)(C)N=NC(C)(C#N)CC(=O)O
US03931143
1,976
CC(C)(C)N=NC(C)(C#N)CCC(=O)O.O=S(=O)(O)O>>CC(C)(C)N=NC(C)(CCC(=O)O)C(N)=O
CC(C)(C)N=NC(C)(C#N)CCC(=O)O.O=S(=O)(O)O>>CC(C)(C)N=NC(C)(CCC(=O)O)C(N)=O
US03931143
1,976
CC(C)(C)N=NC(C)(C)C#N.Cl.NO.O.[Na+].[OH-]>CO.CCCCC>CC(C)(C)N=NC(C)(C)C(N)=NO
CC(C)(C)N=NC(C)(C)C#N.Cl.NO.O.[Na+].[OH-]>CO.CCCCC>CC(C)(C)N=NC(C)(C)C(N)=NO
US03931153
1,976
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1.O=C(Cl)C1CC1.[Na+].[OH-]>C1COCC1.O>O=C(O)c1ccc(NC(=O)C2CC2)cc1[N+](=O)[O-]
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1.O=C(Cl)C1CC1.[Na+].[OH-]>C1COCC1.O>O=C(O)c1ccc(NC(=O)C2CC2)cc1[N+](=O)[O-]
US03931153
1,976
Nc1ccc(C(=O)O)cc1[N+](=O)[O-].O=C(Cl)C1CC1>>O=C(O)c1ccc(NC(=O)C2CC2)c([N+](=O)[O-])c1
Nc1ccc(C(=O)O)cc1[N+](=O)[O-].O=C(Cl)C1CC1>>O=C(O)c1ccc(NC(=O)C2CC2)c([N+](=O)[O-])c1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CCC1>>O=C(O)c1ccc(NC(=O)C2CCC2)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CCC1>>O=C(O)c1ccc(NC(=O)C2CCC2)cc1
US03931153
1,976
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1.O=C(Cl)C1CCC1>>O=C(O)c1ccc(NC(=O)C2CCC2)cc1[N+](=O)[O-]
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1.O=C(Cl)C1CCC1>>O=C(O)c1ccc(NC(=O)C2CCC2)cc1[N+](=O)[O-]
US03931153
1,976
CCN(CC)CC.Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CC1>>O=C(O)c1ccc(NC(=O)C2CCCC2)cc1
CCN(CC)CC.Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CC1>>O=C(O)c1ccc(NC(=O)C2CCCC2)cc1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)CCC1CCCC1>>O=C(CCC1CCCC1)Nc1ccc(C(=O)O)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)CCC1CCCC1>>O=C(CCC1CCCC1)Nc1ccc(C(=O)O)cc1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)CCC1CCCCC1>>O=C(CCC1CCCCC1)Nc1ccc(C(=O)O)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)CCC1CCCCC1>>O=C(CCC1CCCCC1)Nc1ccc(C(=O)O)cc1
US03931153
1,976
CCN(CC)CC.Nc1ccc(C(=O)O)cc1.O=C(Cl)C1=CCCCC1>>O=C(Nc1ccc(C(=O)O)cc1)C1=CCCCC1
CCN(CC)CC.Nc1ccc(C(=O)O)cc1.O=C(Cl)C1=CCCCC1>>O=C(Nc1ccc(C(=O)O)cc1)C1=CCCCC1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CC=CCC1>>O=C(O)c1ccc(NC(=O)C2CC=CCC2)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CC=CCC1>>O=C(O)c1ccc(NC(=O)C2CC=CCC2)cc1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CCCCCC1>>O=C(O)c1ccc(NC(=O)C2CCCCCC2)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CCCCCC1>>O=C(O)c1ccc(NC(=O)C2CCCCCC2)cc1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CCC=CCC1>>O=C(O)c1ccc(NC(=O)C2CCC=CCC2)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)C1CCC=CCC1>>O=C(O)c1ccc(NC(=O)C2CCC=CCC2)cc1
US03931153
1,976
Nc1ccc(C(=O)O)cc1.O=C(Cl)CC1CC2CCC1C2>>O=C(CC1CC2CCC1C2)Nc1ccc(C(=O)O)cc1
Nc1ccc(C(=O)O)cc1.O=C(Cl)CC1CC2CCC1C2>>O=C(CC1CC2CCC1C2)Nc1ccc(C(=O)O)cc1
US03931153
1,976
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1>>O=C(Nc1ccc(C(=O)O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1.O=C(Cl)c1ccc([N+](=O)[O-])cc1>>O=C(Nc1ccc(C(=O)O)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1
US03931153
1,976
Nc1ccc(CC(=O)O)cc1.O=C(Cl)C1CCC1>>O=C(O)Cc1ccc(NC(=O)C2CCC2)cc1
Nc1ccc(CC(=O)O)cc1.O=C(Cl)C1CCC1>>O=C(O)Cc1ccc(NC(=O)C2CCC2)cc1
US03931153
1,976
Nc1ccc(C(=O)O)c(O)c1.O=C(Cl)C1CCCC1>>O=C(O)c1ccc(NC(=O)C2CCCC2)cc1O
Nc1ccc(C(=O)O)c(O)c1.O=C(Cl)C1CCCC1>>O=C(O)c1ccc(NC(=O)C2CCCC2)cc1O
US03931153
1,976
COc1cc(C(=O)Cl)cc(OC)c1OC.Cl.Nc1ccc(C=CC(=O)O)cc1>>COc1cc(C(=O)Nc2ccc(C=CC(=O)O)cc2)cc(OC)c1OC
COc1cc(C(=O)Cl)cc(OC)c1OC.Cl.Nc1ccc(C=CC(=O)O)cc1>>COc1cc(C(=O)Nc2ccc(C=CC(=O)O)cc2)cc(OC)c1OC
US03931162
1,976
C1COCCN1.C=O.CC(C)C(C(N)=S)c1ccccn1>CO>CC(C)C(C(=S)NCN1CCOCC1)c1ccccn1
C1COCCN1.C=O.CC(C)C(C(N)=S)c1ccccn1>CO>CC(C)C(C(=S)NCN1CCOCC1)c1ccccn1
US03931162
1,976
C1COCCN1.C=O.CCCCCC.CO.NC(=S)Cc1ccccn1>>S=C(NCN1CCOCC1)C(c1ccccc1)c1ccccn1
C1COCCN1.C=O.CCCCCC.CO.NC(=S)Cc1ccccn1>>S=C(NCN1CCOCC1)C(c1ccccc1)c1ccccn1
US03931162
1,976
CC(Cl)c1cscn1.CS(C)=O.[C-]#N.[Na+]>>CC(C#N)c1cscn1
CC(Cl)c1cscn1.CS(C)=O.[C-]#N.[Na+]>>CC(C#N)c1cscn1
US03931162
1,976
C[Mg]Cl.N#Cc1ccncn1.O=C([O-])[O-].O=S(=O)(O)O.[Na+].[Na+]>CCOCC.O1CCCC1>CC(=O)c1ccncn1
C[Mg]Cl.N#Cc1ccncn1.O=C([O-])[O-].O=S(=O)(O)O.[Na+].[Na+]>CCOCC.O1CCCC1>CC(=O)c1ccncn1
US03931162
1,976
C=CC(C#N)c1cccc(C)n1.C=CC(Cl)c1cccc(C)n1.C=CC(O)c1cccc(C)n1.O=S(Cl)Cl.S.[C-]#N.[Na+]>>C=CC(C(N)=S)c1cccc(C)n1
C=CC(C#N)c1cccc(C)n1.C=CC(Cl)c1cccc(C)n1.C=CC(O)c1cccc(C)n1.O=S(Cl)Cl.S.[C-]#N.[Na+]>>C=CC(C(N)=S)c1cccc(C)n1
US03931162
1,976
C1COCCN1.C=CC(C(N)=S)c1cccc(C)n1.C=O>>C=CC(C(=S)NCN1CCOCC1)c1cccc(C)n1
C1COCCN1.C=CC(C(N)=S)c1cccc(C)n1.C=O>>C=CC(C(=S)NCN1CCOCC1)c1cccc(C)n1
US03931162
1,976
C1CCNCC1.C=O.CC(C)C(C(N)=S)c1ccccn1>CO>CC(C)C(C(=S)NCN1CCCCC1)c1ccccn1
C1CCNCC1.C=O.CC(C)C(C(N)=S)c1ccccn1>CO>CC(C)C(C(=S)NCN1CCCCC1)c1ccccn1
US03931162
1,976
C=O.CC(C)C(C(N)=S)c1ccccn1.CCNCC>CO>CCN(CC)CNC(=S)C(c1ccccn1)C(C)C
C=O.CC(C)C(C(N)=S)c1ccccn1.CCNCC>CO>CCN(CC)CNC(=S)C(c1ccccn1)C(C)C
US03931162
1,976
C1COCCN1.C=O.NC(=S)C(Cc1ccccc1)c1ccccn1>>S=C(NCN1CCOCC1)C(Cc1ccccc1)c1ccccn1
C1COCCN1.C=O.NC(=S)C(Cc1ccccc1)c1ccccn1>>S=C(NCN1CCOCC1)C(Cc1ccccc1)c1ccccn1
US03931162
1,976
C=O.CC(C)C(C(N)=S)c1ccccn1.CNc1ccccc1>CO>CC(C)C(C(=S)NCN(C)c1ccccc1)c1ccccn1
C=O.CC(C)C(C(N)=S)c1ccccn1.CNc1ccccc1>CO>CC(C)C(C(=S)NCN(C)c1ccccc1)c1ccccn1
US03931168
1,976
Cl.NN1CC(=O)NC1=O.O=C(Cl)C=Cc1ccccc1>N1C=CC=CC=1>O=C(C=Cc1ccccc1)NN1CC(=O)NC1=O
Cl.NN1CC(=O)NC1=O.O=C(Cl)C=Cc1ccccc1>N1C=CC=CC=1>O=C(C=Cc1ccccc1)NN1CC(=O)NC1=O
US03931168
1,976
Cc1ccc(C=CC(=O)O)cc1Cl.Cl.Cl.NN1CC(=O)NC1=O.O=S(Cl)Cl>N1C=CC=CC=1>Cc1ccc(C=CC(=O)NN2CC(=O)NC2=O)cc1Cl
Cc1ccc(C=CC(=O)O)cc1Cl.Cl.Cl.NN1CC(=O)NC1=O.O=S(Cl)Cl>N1C=CC=CC=1>Cc1ccc(C=CC(=O)NN2CC(=O)NC2=O)cc1Cl
US03931168
1,976
Cl.Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1ccc(Cl)cc1.O=S(Cl)Cl>N1C=CC=CC=1>O=C(C=Cc1ccc(Cl)cc1)NN1CC(=O)NC1=O
Cl.Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1ccc(Cl)cc1.O=S(Cl)Cl>N1C=CC=CC=1>O=C(C=Cc1ccc(Cl)cc1)NN1CC(=O)NC1=O
US03931168
1,976
Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1ccc(Cl)c(C(F)(F)F)c1>O=S(Cl)Cl.N1C=CC=CC=1>O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)NN1CC(=O)NC1=O
Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1ccc(Cl)c(C(F)(F)F)c1>O=S(Cl)Cl.N1C=CC=CC=1>O=C(C=Cc1ccc(Cl)c(C(F)(F)F)c1)NN1CC(=O)NC1=O
US03931168
1,976
Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1ccc(F)cc1.c1ccncc1>O=S(Cl)Cl>O=C(C=Cc1ccc(F)cc1)NN1CC(=O)NC1=O
Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1ccc(F)cc1.c1ccncc1>O=S(Cl)Cl>O=C(C=Cc1ccc(F)cc1)NN1CC(=O)NC1=O
US03931168
1,976
CCc1ccc(C=CC(=O)O)cc1Cl.Cl.NN1CC(=O)NC1=O.c1ccncc1>O=S(Cl)Cl>CCc1ccc(C=CC(=O)NN2CC(=O)NC2=O)cc1Cl
CCc1ccc(C=CC(=O)O)cc1Cl.Cl.NN1CC(=O)NC1=O.c1ccncc1>O=S(Cl)Cl>CCc1ccc(C=CC(=O)NN2CC(=O)NC2=O)cc1Cl
US03931168
1,976
Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1cccc(F)c1.O=S(Cl)Cl>N1C=CC=CC=1>O=C(C=Cc1cccc(F)c1)NN1CC(=O)NC1=O
Cl.NN1CC(=O)NC1=O.O=C(O)C=Cc1cccc(F)c1.O=S(Cl)Cl>N1C=CC=CC=1>O=C(C=Cc1cccc(F)c1)NN1CC(=O)NC1=O
US03931168
1,976
C1CCNCC1.Cl.O=C(O)CC(=O)O.O=Cc1ccc(F)c(Cl)c1>N1C=CC=CC=1>O=C(O)C=Cc1ccc(F)c(Cl)c1
C1CCNCC1.Cl.O=C(O)CC(=O)O.O=Cc1ccc(F)c(Cl)c1>N1C=CC=CC=1>O=C(O)C=Cc1ccc(F)c(Cl)c1
US03931169
1,976
CC(=O)N1CCC(=O)CC1.Cl.O=Cc1ccccc1>C(O)C>Cl.O=C1C(=Cc2ccccc2)CNCC1=Cc1ccccc1
CC(=O)N1CCC(=O)CC1.Cl.O=Cc1ccccc1>C(O)C>Cl.O=C1C(=Cc2ccccc2)CNCC1=Cc1ccccc1
US03931169
1,976
CC(=O)OC(C)=O.CNC(=O)N1CC(=Cc2ccccc2)C2=NNC(c3ccccc3)C2C1>>CNC(=O)N1CC(=Cc2ccccc2)C2=NN(C(C)=O)C(c3ccccc3)C2C1
CC(=O)OC(C)=O.CNC(=O)N1CC(=Cc2ccccc2)C2=NNC(c3ccccc3)C2C1>>CNC(=O)N1CC(=Cc2ccccc2)C2=NN(C(C)=O)C(c3ccccc3)C2C1
US03931169
1,976
CN(C)CC(=O)N1CC(=Cc2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.OO>C(O)(=O)C>CN(C)CC(=O)N1CC(=Cc2ccccc2)C2=[N+]([O-])N(C)C(c3ccccc3)C2C1
CN(C)CC(=O)N1CC(=Cc2ccccc2)C2=NN(C)C(c3ccccc3)C2C1.OO>C(O)(=O)C>CN(C)CC(=O)N1CC(=Cc2ccccc2)C2=[N+]([O-])N(C)C(c3ccccc3)C2C1
US03931172
1,976
C1COCCN1.Cc1cc2c(cc1Cl)c(-c1ccccc1)o[n+]2C(C)(C)C.F[B-](F)(F)F>>Cc1cc2c(cc1Cl)C(c1ccccc1)(N1CCOCC1)ON2C(C)(C)C
C1COCCN1.Cc1cc2c(cc1Cl)c(-c1ccccc1)o[n+]2C(C)(C)C.F[B-](F)(F)F>>Cc1cc2c(cc1Cl)C(c1ccccc1)(N1CCOCC1)ON2C(C)(C)C
US03931172
1,976
C1COCCN1.CC(C)(C)[n+]1oc(-c2ccccc2)c2cc(Cl)ccc21.F[B-](F)(F)F>>CC(C)(C)N1OC(c2ccccc2)(N2CCOCC2)c2cc(Cl)ccc21
C1COCCN1.CC(C)(C)[n+]1oc(-c2ccccc2)c2cc(Cl)ccc21.F[B-](F)(F)F>>CC(C)(C)N1OC(c2ccccc2)(N2CCOCC2)c2cc(Cl)ccc21
US03931172
1,976
CC(C)(C)O.C[N+](=O)[O-].Cc1cc2noc(-c3ccccc3)c2cc1Cl.F[B-](F)(F)F.[H+]>C(OCC)C>Cc1cc2c(cc1Cl)c(-c1ccccc1)o[n+]2C(C)(C)C.F[B-](F)(F)F
CC(C)(C)O.C[N+](=O)[O-].Cc1cc2noc(-c3ccccc3)c2cc1Cl.F[B-](F)(F)F.[H+]>C(OCC)C>Cc1cc2c(cc1Cl)c(-c1ccccc1)o[n+]2C(C)(C)C.F[B-](F)(F)F
US03931170
1,976
CCN(CC)CC.CN=C=O.Cl.O=C(O)C(S)c1ccccc1>O.O1CCCC1>CNC(=O)SC(C(=O)O)c1ccccc1
CCN(CC)CC.CN=C=O.Cl.O=C(O)C(S)c1ccccc1>O.O1CCCC1>CNC(=O)SC(C(=O)O)c1ccccc1
US03931170
1,976
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.Cc1nnc(S)s1.Cl.[Na+].[OH-]>CC(C)=O.O>Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(N)C3SC2)s1
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](N)[C@H]2SC1.Cc1nnc(S)s1.Cl.[Na+].[OH-]>CC(C)=O.O>Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(N)C3SC2)s1
US03931173
1,976
NCc1cccnc1.O=C(O)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1.O=S(Cl)Cl>C1C=CC=CC=1>O=C(NCc1cccnc1)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1
NCc1cccnc1.O=C(O)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1.O=S(Cl)Cl>C1C=CC=CC=1>O=C(NCc1cccnc1)C1Oc2ccc(Cl)cc2Cc2cc(Cl)ccc2O1
US03931173
1,976
Cc1ccc(O)c(Cc2cc(C)ccc2O)c1.O=C(O)C(Cl)Cl.O=C([O-])[O-].[K+].[K+]>C(O)(C)C>Cc1ccc2c(c1)Cc1cc(C)ccc1OC(C(=O)O)O2
Cc1ccc(O)c(Cc2cc(C)ccc2O)c1.O=C(O)C(Cl)Cl.O=C([O-])[O-].[K+].[K+]>C(O)(C)C>Cc1ccc2c(c1)Cc1cc(C)ccc1OC(C(=O)O)O2
US03931173
1,976
CO.Cc1ccc2c(c1)Cc1cc(C)ccc1OC(C(=O)O)O2.O=S(=O)(O)O>>COC(=O)C1Oc2ccc(C)cc2Cc2cc(C)ccc2O1
CO.Cc1ccc2c(c1)Cc1cc(C)ccc1OC(C(=O)O)O2.O=S(=O)(O)O>>COC(=O)C1Oc2ccc(C)cc2Cc2cc(C)ccc2O1
US03931174
1,976
CSCc1c(C)[n+]([O-])c2ccccc2[n+]1[O-].Cc1c(CS(C)=O)[n+]([O-])c2ccccc2[n+]1[O-]>>CS(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-]
CSCc1c(C)[n+]([O-])c2ccccc2[n+]1[O-].Cc1c(CS(C)=O)[n+]([O-])c2ccccc2[n+]1[O-]>>CS(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-]
US03931174
1,976
CCCS(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-].CCCSCc1c[n+]([O-])c2ccccc2[n+]1[O-]>>CCS(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-]
CCCS(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-].CCCSCc1c[n+]([O-])c2ccccc2[n+]1[O-]>>CCS(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-]
US03931174
1,976
CCOCC.COC(=O)c1c(CSC)[n+]([O-])c2ccccc2[n+]1[O-].O=C(OO)c1cccc(Cl)c1>C(Cl)(Cl)Cl>COC(=O)c1c(CS(C)=O)[n+]([O-])c2ccccc2[n+]1[O-]
CCOCC.COC(=O)c1c(CSC)[n+]([O-])c2ccccc2[n+]1[O-].O=C(OO)c1cccc(Cl)c1>C(Cl)(Cl)Cl>COC(=O)c1c(CS(C)=O)[n+]([O-])c2ccccc2[n+]1[O-]
US03931174
1,976
CCS(=O)(=O)Cc1c(C(=O)OC)[n+]([O-])c2ccccc2[n+]1[O-]>[OH-].[Na+]>CCS(=O)(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-]
CCS(=O)(=O)Cc1c(C(=O)OC)[n+]([O-])c2ccccc2[n+]1[O-]>[OH-].[Na+]>CCS(=O)(=O)Cc1c[n+]([O-])c2ccccc2[n+]1[O-]
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Dataset Card for "uspto-full"

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144 MB
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Number of rows:
1,808,937