text
stringlengths 25
599
| label
int64 0
999
|
|---|---|
CC#N.CO.COC(=O)c1cc(F)ccc1CNC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCOC2(C)C.[Na+]~[OH-]>>CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1C(=O)O)c(OCc1ccccc1)c2=O | 247 |
CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.CC(Cl)Cl.CCc1cc(-c2cccc(NC(=O)C(C)(C)C)n2)c(OC)cc1CC=O.CNC.Cl.[Na+]>>CCc1cc(-c2cccc(NC(=O)C(C)(C)C)n2)c(OC)cc1CCN(C)C | 484 |
CO.COC(=O)c1ccc2nc(C)c3c(c2c1)N(CCc1ccccc1)CC3.O.[Na+].[OH-]>>Cc1nc2ccc(C(=O)O)cc2c2c1CCN2CCc1ccccc1 | 247 |
CCN=C=NCCCN(C)C.CN(C)C=O.COc1ccc(C(C)CN)cc1.Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)O)cc3)c2)o1.Cl.On1nnc2ccccc21>>COc1ccc(C(C)CNC(=O)c2ccc(-c3cc(-c4nnc(C)o4)ccc3C)cc2)cc1 | 334 |
CCO.Cl[Sn]Cl~O~O.O=[N+]([O-])c1ccc(-c2nc3ccccc3s2)cc1>>Nc1ccc(-c2nc3ccccc3s2)cc1 | 1 |
C1CCOC1.COC(=O)COc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.O.O~[Li]O>>Nc1cnc(-c2ccc(-c3ccccc3OCC(=O)O)cc2F)cn1 | 88 |
Cl.Nc1ccc(O)c(C(=O)O)c1.O=C(Cl)OCc1ccccc1.c1ccncc1>>O=C(Nc1ccc(O)c(C(=O)O)c1)OCc1ccccc1 | 509 |
CC(C)(C)OC(=O)NC1CCN(c2ccc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1.O=C(Nc1ccc(N2CCNCC2)nc1)c1oc(N2CCCCC2)nc1C(F)(F)F>>NC1CCN(c2ccc(NC(=O)c3oc(N4CCCCC4)nc3C(F)(F)F)cn2)CC1 | 538 |
CO.O=C(O)c1ccnc2[nH]cnc12.O=S(=O)(O)O>>COC(=O)c1ccnc2[nH]cnc12 | 521 |
CCOC(C)=O.CO.O=[N+]([O-])c1cnc2cc(-c3ccc(Cl)cc3)nn2c1.[Pt]>>Nc1cnc2cc(-c3ccc(Cl)cc3)nn2c1 | 660 |
CC(C)O~CCCCCC.CCOC(=O)CCN(C)C(=O)c1ccc(NC(CC(C)C)c2cc(-c3ccc(OC)nc3)oc2C)cc1>>COc1ccc(-c2cc(C(CC(C)C)Nc3ccc(C(=O)N(C)CCC(=O)O)cc3)c(C)o2)cn1 | 7 |
C1CCOC1.C1COC2(CCC(OCC3CC3)CC2)O1.Cl>>O=C1CCC(OCC2CC2)CC1 | 251 |
Br.BrBr.CCC(=O)c1cnc(Cl)cc1C.O=C([O-])[O-].[Na+].[Na+]>>Cc1cc(Cl)ncc1C(=O)C(C)Br | 82 |
C1COCCO1.CC(C)Oc1ccc(B(O)O)cc1.CCCc1nc(CC)c(Br)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1.CCOC(C)=O.Cl[Pd]Cl~[Fe+2]~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1~c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.O=C([O-])[O-]~[Cs+]~[Cs+]>>CCCc1nc(CC)c(-c2ccc(OC(C)C)cc2)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1 | 871 |
CCOC(C)=O.CCOCC.COc1cc(OC)c(C(=O)O)cc1OC.FB(F)F.O.[Br-].[Na+].[Na+].[OH-]>>COc1cc(O)c(C(=O)O)cc1OC | 48 |
CC(=O)NC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)OC(C)(C)C.COc1ccccc1.O=C(O)C(F)(F)F>>CC(=O)NC(CSC(C)=O)C(=O)N1CCC[C@H]1C(=O)O | 278 |
C1CCOC1.CCCCCCCCCCCCCCCCSCCC(=O)OCC.O.[BH4-].[Li+]>>CCCCCCCCCCCCCCCCSCCCO | 225 |
CC(=O)O.CCN(CC)c1cc(-c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc2n1.Cl.[Fe]>>CCN(CC)c1cc(-c2ccc(N)cc2)c2cc(Cl)ccc2n1 | 1 |
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1.CS(=O)(=O)O>>Clc1ccc2c(c1)CCc1cccnc1C2=C1CCNCC1 | 283 |
C#CCC(O)C=Cc1ccncc1.CC(=O)OC(C)=O.CCOCC.CN(C)c1ccncc1.c1ccncc1>>C#CCC(C=Cc1ccncc1)OC(C)=O | 155 |
C1CCOC1.CC(=O)O.COc1cccc(Cl)c1CC(=O)N1[C@@H](CO[Si](C)(C)C(C)(C)C)Cc2c(CCC(C)(C)O)cccc2[C@@H]1C.O>>COc1cccc(Cl)c1CC(=O)N1[C@@H](CO)Cc2c(CCC(C)(C)O)cccc2[C@@H]1C | 708 |
CCN(CC)CC.CN1CC[NH+](C)C1Cl.COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)O)c2)=C(C)C1=O.ClCCl.Nc1ccc(C(F)(F)F)cc1.[Cl-]>>COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)=C(C)C1=O | 50 |
Brc1cncc(OC2CCNCC2)c1.CCO.Cl.NC(=O)CBr.O.O=C([O-])[O-].[K+].[K+]>>NC(=O)CN1CCC(Oc2cncc(Br)c2)CC1 | 443 |
CC#N.Cc1cc(-n2nc(C)c(C)c2C)ccc1O.Cc1cccc(-n2nnn(C)c2=O)c1CBr.O=C([O-])[O-].[K+].[K+]>>Cc1cc(-n2nc(C)c(C)c2C)ccc1OCc1c(C)cccc1-n1nnn(C)c1=O | 127 |
C1CCOC1.CCOC(=O)c1ccn(C(C)C)n1.CCOC(C)=O.O.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+].[Na+]~[OH-]>>CC(C)n1ccc(CO)n1 | 391 |
CS(=O)(=O)N1CCNCC1.Cc1cc(/C(CC(c2ccc(Br)cc2)c2ccccc2C(F)(F)F)=N/O)ccn1>>Cc1cc(/C(CC(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C(F)(F)F)=N/O)ccn1 | 294 |
CC(C)(N)c1ccccc1.CCN=C=NCCCN(C)C.CN(C)C=O.COCOc1cc(C(=O)O)ccc1C=O.Cl.O.O.On1nnc2ccccc21>>COCOc1cc(C(=O)NC(C)(C)c2ccccc2)ccc1C=O | 753 |
Clc1cnccn1.NCCCCN.c1ccncc1>>NCCCCNc1cnccn1 | 148 |
CN1CCCN(C)C1=O.C[O-]~[Na+].Cl.O=C(O)c1cc(Cl)cc(Cl)c1>>COc1cc(Cl)cc(C(=O)O)c1 | 57 |
C1CCOC1.CC(C)(C)[O-]~[K+].C[P+](c1ccccc1)(c1ccccc1)c1ccccc1~[Br-].O=Cc1ccc(OC2CCCCO2)cc1>>C=Cc1ccc(OC2CCCCO2)cc1 | 649 |
CC(=CCCCO)CCCC(C)CCCC(C)C.CCN(CC)CC.CCOC(C)=O.CN(C)C.CN(C)CCCN.Cc1ccc(S(=O)(=O)Cl)cc1.Cl.ClCCl>>CC(=CCCCOS(=O)(=O)c1ccc(C)cc1)CCCC(C)CCCC(C)C | 197 |
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1F.C[C@H]1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OC(C)(C)C.ClCCCl.ClCCl.On1nnc2ccccc21>>CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNS(=O)(=O)c1cc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)[C@@H](C)C4)c3)c2)c(Cl)cc1F | 753 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C~Cl.CN(C)C=O.CN(CC(=O)O)C(=O)OC(C)(C)C.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCNCC1.On1nnc2cccnc21>>CN(CC(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1)C(=O)OC(C)(C)C | 146 |
CC(Br)C(=O)Cl.Nc1ccc(CO)cc1>>CC(Br)C(=O)Nc1ccc(CO)cc1 | 9 |
CCO.CCOC(=O)c1cc2c(C)c(Oc3ccc(O)c(C(=O)c4ccc(F)cc4)c3)c(C)cc2[nH]1.[BH4-]~[Na+]>>CCOC(=O)c1cc2c(C)c(Oc3ccc(O)c(C(O)c4ccc(F)cc4)c3)c(C)cc2[nH]1 | 157 |
C1CCOC1.COC(=O)c1cnc2c(c1)NC(=O)CO2>>COC(=O)c1cnc2c(c1)NCCO2 | 363 |
CN(C)CCCN.N#Cc1cnc2cnc(F)cc2c1Nc1ccc(F)c(Cl)c1>>CN(C)CCCNc1cc2c(Nc3ccc(F)c(Cl)c3)c(C#N)cnc2cn1 | 810 |
Cc1nsc(Nc2cnc3c(n2)c(C(=O)NC(C)(C)C)cn3COCC[Si](C)(C)C)n1.ClCCl.O=C(O)C(F)(F)F>>Cc1nsc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)n1 | 981 |
C1CCOC1.CO.COC(=O)CCCS(=O)(=O)c1c(Cc2cccc3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)C.Cl.O.[Na+]~[OH-]>>CC(C)Cn1c(=O)n(C)c(=O)c2c(S(=O)(=O)CCCC(=O)O)c(Cc3cccc4ccccc34)sc21 | 88 |
O=c1cc(CBr)c2ccc(F)c(F)c2[nH]1.c1ccc2[nH]c(-c3cncs3)nc2c1>>O=c1cc(Cn2c(-c3cncs3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 | 593 |
CCN(CC)CC.ClCCl.O=C(c1ccc(O)cc1F)C(F)F.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F>>O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1F)C(F)F | 731 |
CC(=O)[O-]~[NH4+].CN(C)C=O.O=C(O)c1cccc(-n2cccn2)c1.O=S(Cl)Cl.c1ccccc1>>NC(=O)c1cccc(-n2cccn2)c1 | 358 |
C1CCOC1.CCOC(=O)c1ncc(-c2ccccc2F)c2c1[nH]c1cc(NC(=O)OCc3ccccc3)ccc12.CO.O.O~[Li+]~[OH-]>>O=C(Nc1ccc2c(c1)[nH]c1c(C(=O)O)ncc(-c3ccccc3F)c12)OCc1ccccc1 | 171 |
C1CCOC1.CCC(=O)Cl.COc1ccc(C2CCCNC2)cc1OC.O.O=C([O-])[O-]~[Na+]~[Na+]>>CCC(=O)N1CCCC(c2ccc(OC)c(OC)c2)C1 | 125 |
CCCO[C@@H]1CN(c2cccc(C(=O)OC)c2)CC[C@@H]1N.CCN=C=NCCCN(C)C.CCc1[nH]c(C(=O)O)nc1Cl.Cl.On1nnc2ccccc21>>CCCO[C@@H]1CN(c2cccc(C(=O)OC)c2)CC[C@@H]1NC(=O)c1nc(Cl)c(CC)[nH]1 | 951 |
Cc1ccc2c(Br)c(Cl)ccc2n1.O=S(=O)(O)O.O=[N+]([O-])[O-].[K+]>>Cc1ccc2c(Br)c(Cl)cc([N+](=O)[O-])c2n1 | 328 |
C1CCOC1.CO.COC(=O)COc1ccc2c(c1)cc(C(=O)N1CCN(c3ccccc3C(C)(C)C)CC1)n2C.Cl.[Na+].[OH-]>>Cn1c(C(=O)N2CCN(c3ccccc3C(C)(C)C)CC2)cc2cc(OCC(=O)O)ccc21 | 88 |
CC(C)(C)c1ccc(C(=O)O)cc1.CCN(C(C)C)C(C)C.CCOC(=O)Cn1cc(-c2cc3c(-c4ccc(CN)c(F)c4)ncnc3[nH]2)cn1.CCOC(C)=O.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F>>CCOC(=O)Cn1cc(-c2cc3c(-c4ccc(CNC(=O)c5ccc(C(C)(C)C)cc5)c(F)c4)ncnc3[nH]2)cn1 | 753 |
CCOC(C)=O.CN1CCCC1=O.NC(=O)C1CNCCO1.O=C([O-])[O-]~[K+]~[K+].O=[N+]([O-])c1ccc(F)cc1>>NC(=O)C1CN(c2ccc([N+](=O)[O-])cc2)CCO1 | 26 |
BrC1CCCC1.CC(C)OC(C)C.CN(C)C=O.COC(=O)CCc1ccc(O)c(Br)c1.O.[H-].[Na+]>>COC(=O)CCc1ccc(OC2CCCC2)c(Br)c1 | 153 |
C1CCOC1.CCOC(=O)CCCN1CCc2nn(-c3nnc(-c4ccc(OC(C)C)c(Cl)c4)s3)cc2C1.CCOC(C)=O.O.[Li+]~[OH-]>>CC(C)Oc1ccc(-c2nnc(-n3cc4c(n3)CCN(CCCC(=O)O)C4)s2)cc1Cl | 7 |
CC(=O)OC(C)=O.CCN(CC)CC.CCOC(C)=O.Cl~NC1Cc2ccccc2C1>>CC(=O)NC1Cc2ccccc2C1 | 339 |
COc1ccc(C(=O)Cl)cc1OC.ClCCl.Cn1cc(-c2cc(N)ccc2C(C)(C)C#N)cn1>>COc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)c(-c3cnn(C)c3)c2)cc1OC | 11 |
CC(C)(O)CN.CCN(CC)CC.CN(C)C=O.Cc1nc(Cl)c([N+](=O)[O-])c(Cl)c1C>>Cc1nc(Cl)c([N+](=O)[O-])c(NCC(C)(C)O)c1C | 78 |
CC#N.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O.COc1cc(-c2cc3cc(C=O)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O.NC1CC1.[Na+]>>COc1cc(-c2cc3cc(CNC4CC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1OS(C)(=O)=O)CNC2=O | 468 |
C1CCOC1.CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(C=O)cc2)CC1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>CC(C)(C)OC(=O)N1CCN(c2ccccc2-c2ccc(CO)cc2)CC1 | 356 |
C=CCC(C)(C)CO.CS(=O)(=O)Cl.ClCCl>>C=CCC(C)(C)COS(C)(=O)=O | 0 |
CCCCCC(=O)Cl.Cc1ncoc1C(=NOCc1cccc(N)n1)c1ccccc1.ClCCl.c1ccncc1>>CCCCCC(=O)Nc1cccc(CON=C(c2ccccc2)c2ocnc2C)n1 | 332 |
CC(C)(C)[Si](C)(C)OCCOCCBr.CN(C)C=O.C[C@]12C[C@H](c3ccc(O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CCC2=O.[Cl-].[H-].[NH4+].[Na+]>>CC(C)(C)[Si](C)(C)OCCOCCOc1ccc([C@H]2C[C@]3(C)C(=O)CC[C@H]3[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 | 75 |
CCN(CC)CC.CCON=C(c1ccc(Br)cc1)C1CCN(C2(C)CCNCC2)CC1.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O=C(O)c1ccnc2cc(C(F)(F)F)ccc12>>CCON=C(c1ccc(Br)cc1)C1CCN(C2(C)CCN(C(=O)c3ccnc4cc(C(F)(F)F)ccc34)CC2)CC1 | 44 |
CC(C)(C)OC(=O)N1CCOCC1c1noc(-c2cccc(Cl)c2)n1.ClCCl.O.O=C(O)C(F)(F)F.O=C([O-])O~[Na+]>>Clc1cccc(-c2nc(C3COCCN3)no2)c1 | 575 |
CC(C)(C)OC(=O)N1CC(Oc2ccc(F)c(F)c2)C2C1CCN2C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C.CO.ClCCl.ClCCl.O=C(O)C(F)(F)F>>CC(C)(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCC2NCC(Oc3ccc(F)c(F)c3)C21 | 575 |
CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1Cl.ClCCl.Nc1ccc(Cl)cn1.O.O=C1CCC(=O)N1Br.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccncc1>>CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc(Cl)cn2)cc1Cl | 368 |
C1CCOC1.CCN(CC)CC.CCOC(C)=O.Cc1nc(C(F)(F)F)ccc1Cn1nc(NN)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O.O=C(Cl)CCl>>Cc1nc(C(F)(F)F)ccc1Cn1nc(NNC(=O)CCl)c(-c2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)c1=O | 450 |
CCOC(=O)c1c(C)[nH]c2ccccc12.CI.CN(C)C=O.[H-].[Na+]>>CCOC(=O)c1c(C)n(C)c2ccccc12 | 191 |
Brc1c[nH]cn1.COc1cc(-c2nc3ccccc3o2)ccc1CBr.COc1cc(-c2nc3ccccc3o2)ccc1Cn1ccnn1>>COc1cc(-c2nc3ccccc3o2)ccc1Cn1cnc(Br)c1 | 658 |
CCOC(=O)c1cc2cc(O)ccc2[nH]1.CCOC(C)=O.CN(C)C(=O)CCl.CN(C)C=O.O=C([O-])[O-].[Cs+].[Cs+]>>CCOC(=O)c1cc2cc(OCC(=O)N(C)C)ccc2[nH]1 | 458 |
CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C~F[P-](F)(F)(F)(F)F.CN1CCC(N2CCNCC2)CC1.CN1CCOCC1.COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2COCC(=O)O)c(C)c1>>COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2COCC(=O)N2CCN(C3CCN(C)CC3)CC2)c(C)c1 | 146 |
CCOC(=O)c1ncn([C@H]2CCCC[C@@H]2NC(=O)OCCOC)c1-c1ccccc1.COC(C)O.Cl.[Na+]~[OH-]>>COCCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)O)c1-c1ccccc1 | 171 |
CC(C)(C)OC(=O)NC1CCNCC1.CO.O=C([O-])[O-].OCCBr.[Na+].[Na+]>>CC(C)(C)OC(=O)NC1CCN(CCO)CC1 | 73 |
B~C1CCOC1.C1CCOC1.CCNC(=O)Cc1ccn(-c2ccc(F)cn2)n1.Cl.ClC(Cl)Cl>>CCNCCc1ccn(-c2ccc(F)cn2)n1 | 112 |
C1CCOC1.CC(C)COC(=O)Cl.CCN(CC)CC.O=C1COc2c(cc(C(=O)O)c(F)c2F)N1>>O=C1COc2c(cc(CO)c(F)c2F)N1 | 72 |
CN(C)C=O.Cl.ClCCl.O=C(Cl)C(=O)Cl.O=C(O)CCCc1ccc(Cl)c(Br)c1.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>O=C1CCCc2cc(Br)c(Cl)cc21 | 274 |
C1COCCN1.CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].COc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(C=O)c4)cc3C3(CC3)C2=O)c1F.ClCCl>>COc1cc(OC)c(F)c(N2Cc3cnc(-c4cncc(CN5CCOCC5)c4)cc3C3(CC3)C2=O)c1F | 757 |
CN(C)C=O.CN(C)CCO.O.O=C(O)c1ccc(CCN2CC=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1.O=C(n1ccnc1)n1ccnc1>>CN(C)CCOC(=O)c1ccc(CCN2CC=C(c3c[nH]c(-c4ccc(F)cc4)c3-c3ccncc3)CC2)cc1 | 33 |
CN(C)c1ccncc1.Nc1cccc2cccnc12.O=S(=O)(Cl)c1ccccc1OC(F)(F)F>>O=S(=O)(Nc1cccc2cccnc12)c1ccccc1OC(F)(F)F | 554 |
COc1cc(C(=O)Cl)cc(OC)c1OC.O=c1cc(O)c(Cl)c[nH]1.c1ccncc1>>COc1cc(C(=O)Oc2cc(=O)[nH]cc2Cl)cc(OC)c1OC | 482 |
CO.COC(=O)C1(C(=O)OC)CCn2c(C(=O)c3ccc(F)cc3)ccc21.COC(=O)C1CCn2c(C(=O)c3ccc(F)cc3)ccc21.O.[K+]~[OH-]>>O=C(c1ccc(F)cc1)c1ccc2n1CCC2C(=O)O | 88 |
CC#N.CC#N~O.CCOC(C)=O.NCCCn1cccn1.O=C([O-])[O-]~[K+]~[K+].O=[N+]([O-])c1ccccc1S(=O)(=O)Cl>>O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCn1cccn1 | 43 |
CCN=C=NCCCN(C)C.CN(C)C=O.C[Si](C)(C)CCOCn1ccnc1CC(CN)Cc1nccn1COCC[Si](C)(C)C.O.O=Cc1ccc(C(=O)O)cc1.On1cnc2ccccc21>>C[Si](C)(C)CCOCn1ccnc1CC(CNC(=O)c1ccc(C=O)cc1)Cc1nccn1COCC[Si](C)(C)C | 334 |
C1CCOC1.CC(=O)O.CCCC[N+](CCCC)(CCCC)CCCC~O~O~O~[F-].Cc1c(C)c2c(c(C)c1O[Si](C)(C)C(C)(C)C)SC(CCCC(C)(C)C(=O)O)O2>>Cc1c(C)c2c(c(C)c1O)SC(CCCC(C)(C)C(=O)O)O2 | 754 |
CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21.COc1ccc(C2CCC(CCO)CC2)cc1.ClCCl.O=C([O-])O.[Na+]>>COc1ccc(C2CCC(CC=O)CC2)cc1 | 142 |
CC(C)O.O=C1Cc2c(I)cccc2N1.O=Cc1ccc[nH]1>>O=C1Nc2cccc(I)c2/C1=C/c1ccc[nH]1 | 911 |
C1CCOC1.CCO.Cc1sc(-c2cc(C=O)cc(C(F)(F)F)c2)nc1COC1CCCCO1.O.[BH4-].[Na+]>>Cc1sc(-c2cc(CO)cc(C(F)(F)F)c2)nc1COC1CCCCO1 | 356 |
CC(=O)OC(C)=O.ClCCl.Cl~O=C(c1ccccc1)C1CCNCC1>>CC(=O)N1CCC(C(=O)c2ccccc2)CC1 | 369 |
CN(C)C=O.COC(=O)CCCCCCCBr.O=c1[nH]cc(-c2ccccc2)n1-c1ccc(Cl)cc1.[H-]~[Na+]>>COC(=O)CCCCCCCn1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1=O | 495 |
CO.[N-]=[N+]=N[C@@H]1CCC(F)(F)C[C@H]1O.[Pd]>>N[C@@H]1CCC(F)(F)C[C@H]1O | 89 |
CO.Cn1c(C2CC2C(C)(C)O)nc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc21.[Pd]>>Cn1c(C2CC2C(C)(C)O)nc2ccc(-n3ccc(O)cc3=O)cc21 | 23 |
CCO.COC(=O)C(SC1CCCC1)c1ccc(Cl)c(Cl)c1.O.[K+]~[OH-]>>O=C(O)C(SC1CCCC1)c1ccc(Cl)c(Cl)c1 | 88 |
CO.COC(=O)C(=C(C)C)N1C(=O)[C@H](NC(=O)OCc2ccccc2)[C@H]1CC=O.[BH4-].[Na+]>>COC(=O)C(=C(C)C)N1C(=O)[C@H](NC(=O)OCc2ccccc2)[C@H]1CCO | 223 |
CCO.CNc1nc(-c2ccc(C#N)c(F)c2)cc(N2C[C@@H](CO)OC[C@H]2C)n1.NN~O>>CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](CO)OC[C@H]2C)n1 | 945 |
CC(=O)[O-].CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.COc1cnn(-c2ccc(Br)cc2)n1.[K+]>>COc1cnn(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 | 942 |
CCCCC1CCCN(C[C@@H]2CCCC[C@H]2N)C1~Cl.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.O=C(O)CCc1ccc(Cl)cc1>>CCCCC1CCCN(C[C@@H]2CCCC[C@H]2NC(=O)CCc2ccc(Cl)cc2)C1 | 230 |
C1CCOC1.NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2.O=C(O)CCc1c[nH]c2ccccc12.O=C(n1ccnc1)n1ccnc1>>O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 | 230 |
CC(C)(C)OC(=O)N1CC(c2ccc3[nH]ccc3c2)C1.CC(C)c1ccc(S(=O)(=O)Cl)cc1.CN(C)C=O.O.[H-]~[Na+]>>CC(C)c1ccc(S(=O)(=O)n2ccc3cc(C4CN(C(=O)OC(C)(C)C)C4)ccc32)cc1 | 648 |
C1CCOC1.CN(C)CCO.Clc1ccc(C=NNc2ncnc3c2cnn3-c2ccccc2)cn1.O.[H-]~[Na+]>>CN(C)CCOc1ccc(C=NNc2ncnc3c2cnn3-c2ccccc2)cn1 | 433 |
C1CCOC1.COC(=O)Cc1csc2c(OCc3cc(-c4ccc(Cl)cc4)on3)cccc12.Cl.O.O.[Li+].[OH-]>>O=C(O)Cc1csc2c(OCc3cc(-c4ccc(Cl)cc4)on3)cccc12 | 88 |
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O.CCOC(C)=O.CN(C)C=O.O.O=C([O-])[O-]~[K+]~[K+].O=Cc1ccc(F)cc1>>CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Oc2ccc(C=O)cc2)cc1)C(=O)O | 564 |
BrCC1CC1.CN(C)C=O.O=C([O-])[O-]~[K+]~[K+].O=[N+]([O-])c1ccc(O)c(F)c1>>O=[N+]([O-])c1ccc(OCC2CC2)c(F)c1 | 75 |
C1CCOC1.CCOC(=O)Cc1cc(Cl)c(NC(=O)c2cn(C)c3cc(F)ccc23)cc1F.Cl.[Na+]~[OH-]>>Cn1cc(C(=O)Nc2cc(F)c(CC(=O)O)cc2Cl)c2ccc(F)cc21 | 7 |