text
stringlengths 25
599
| label
int64 0
999
|
|---|---|
CI.Cn1c(=O)ccc2cc(COc3cc(C(F)(F)F)cc(C4(O)CCOCC4)c3)ccc21>>COC1(c2cc(OCc3ccc4c(ccc(=O)n4C)c3)cc(C(F)(F)F)c2)CCOCC1 | 140 |
COC(=O)Cn1c(C)c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc21.O~[Li+]~[OH-]>>Cc1c(Cc2ccc(=O)n(Cc3ccccc3F)c2)c2cc(F)ccc2n1CC(=O)O | 88 |
CO.COC(=O)c1cc(NC2CCC2)nc(S(C)(=O)=O)c1.Cl.[Na+]~[OH-]>>CS(=O)(=O)c1cc(C(=O)O)cc(NC2CCC2)n1 | 152 |
CCOC(C)=O.CN(C)C=O.CNC(=O)c1cc(Cl)ccn1.O=C(NCCc1cccc(O)c1)c1ccc(Cl)c(C(F)(F)F)c1.O=C([O-])[O-]~[Cs+]~[Cs+]>>CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3ccc(Cl)c(C(F)(F)F)c3)c2)ccn1 | 351 |
O=S(=O)(O)O.O=[N+]([O-])O.Oc1ccnc(C(F)(F)F)c1.[Na+].[OH-]>>O=[N+]([O-])c1cnc(C(F)(F)F)cc1O | 328 |
C1CCOC1.CCOC(=O)C(C)(C)N1CCCC(n2nccc2-c2ccc3c(c2)OCCn2cc(-c4nc(C)nn4C(C)C)nc2-3)C1.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>Cc1nc(-c2cn3c(n2)-c2ccc(-c4ccnn4C4CCCN(C(C)(C)CO)C4)cc2OCC3)n(C(C)C)n1 | 225 |
CCOC(C)=O.CI.Cc1nc(CN2CCN(C(=O)OC(C)(C)C)[C@H](CO)C2)co1.[H-]~[Na+]>>COC[C@@H]1CN(Cc2coc(C)n2)CCN1C(=O)OC(C)(C)C | 140 |
CCO.CCOC(=O)c1ncnc(N(C)C)c1C.[BH4-]~[Na+]>>Cc1c(CO)ncnc1N(C)C | 711 |
CC(C)O.CCOC(=O)CCCOc1cccc(-c2cnc(-c3ccc(OC(C)C)c(Cl)c3)nc2)c1CC.O.[Na+]~[OH-]>>CCc1c(OCCCC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(Cl)c2)nc1 | 7 |
COc1cccc(Cl)n1.O=C(c1ccccc1-c1cccs1)N1CC2CNCC2C1>>COc1cccc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC3C2)n1 | 220 |
C#CCCCC.CC(C)(C)O.COc1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CN=[N+]=[N-])[C@@H](O)[C@H]2O)cc1.O.O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]>>CCCCc1cn(C[C@H]2O[C@@H](n3cnc4c(NCc5ccc(OC)cc5)ncnc43)[C@H](O)[C@@H]2O)nn1 | 963 |
O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=c1[nH]c2ccccc2n1C1CCN([C@@H]2CCN[C@@H](Cc3ccccc3)C2)CC1>>O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C[C@@H]1Cc1ccccc1 | 201 |
C[C@@H](C(=O)N[C@@H]1C(=O)N(Cc2c(C#N)n(-c3ccccc3C#N)c3ccccc23)c2ccccc2OC12CCOCC2)N(C)C(=O)OC(C)(C)C.ClCCl.O.O=C(O)C(F)(F)F.O=C([O-])O.[Na+]>>CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C#N)n(-c3ccccc3C#N)c3ccccc23)c2ccccc2OC12CCOCC2 | 634 |
CC(=O)O[BH-](OC(C)=O)OC(C)=O.CC(C)(C)OC(=O)N[C@H]1CCCNC1.ClCCl.O.O=Cc1ccccc1.[Na+]>>CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 | 567 |
CC(=O)O[Pd]c1ccccc1-c1ccccc1P(C(C)(C)C)C(C)(C)C.CCO.CN1Cc2ccc(Cl)nc2O[C@H](c2ccccc2)C1.COCCOC.Nc1ccc(-n2ccnc2CO)cc1.O=C([O-])[O-]~[Cs+]~[Cs+]>>CN1Cc2ccc(Nc3ccc(-n4ccnc4CO)cc3)nc2O[C@H](c2ccccc2)C1 | 434 |
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](OCCCl)C[C@]4(C)[C@H]3C(=O)C[C@]12C.Cc1ccc(S(=O)(=O)O)cc1.OCCO.c1ccccc1>>CC1([C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@H](O)[C@@H](OCCCl)C[C@]5(C)[C@H]4C(=O)C[C@@]32C)OCCO1 | 265 |
CCOc1ccccc1.ClCCl.O=C(Cl)c1cc(I)ccc1Cl.[Al+3].[Cl-].[Cl-].[Cl-]>>CCOc1ccc(C(=O)c2cc(I)ccc2Cl)cc1 | 61 |
CCN(C(C)C)C(C)C.CCO.Clc1ncc(Cl)c(Cl)n1.O=[N+]([O-])c1ccccc1O>>O=[N+]([O-])c1ccccc1Oc1nc(Cl)ncc1Cl | 890 |
CCS.CN(C)C=O.COc1ccc(C(CC(=O)O)CC(=O)O)cc1>>O=C(O)CC(CC(=O)O)c1ccc(O)cc1 | 48 |
CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccc(F)cc4C#N)cc3)c2s1.CS(C)=O.ClC(Cl)Cl.O=C([O-])O.[Cl-].[NH3+]O.[Na+]>>CCc1cc2c(=O)n(CC(=O)c3ccc(OC)cc3)c(=O)n(Cc3ccc(-c4ccc(F)cc4-c4noc(=O)[nH]4)cc3)c2s1 | 979 |
CO.C[C@H](Nc1nc(Cl)cc(-n2cnc3ccccc32)n1)c1ccccc1.C[O-].[Na+]>>COc1cc(-n2cnc3ccccc32)nc(N[C@@H](C)c2ccccc2)n1 | 653 |
CCO.O.O=[N+]([O-])c1cc(Br)ccc1NCC1CC1.[Cl-]~[NH4+].[Fe]>>Nc1cc(Br)ccc1NCC1CC1 | 1 |
COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CSc1ccccc1.ClCl.O=C(OO)c1cccc(Cl)c1>>COc1ccc(CC(=O)O)cc1-c1ccc(C(F)(F)F)cc1CS(=O)c1ccccc1 | 500 |
C1CN[C@@H](CNCC2CC2)C1.CCN=C=NCCCN(C)C.CN(C)C=O.Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)O.O.O=C([O-])O.On1nnc2ccccc21.[Na+]>>Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)c(C)c1C(=O)N1CCC[C@@H]1CNCC1CC1 | 256 |
B.C1CCOC1.C1CCOC1.O=C(O)c1cc(C(F)(F)F)ccc1I>>OCc1cc(C(F)(F)F)ccc1I | 72 |
CO.COC(=O)c1ccc(F)cc1O.NN~O>>NNC(=O)c1ccc(F)cc1O | 421 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.CO.Nc1ccc2[nH]ccc2c1>>CC(C)(C)OC(=O)Nc1ccc2[nH]ccc2c1 | 735 |
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cccc(C(=O)O)c1.CCN(CC)CC.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)C=O.F[P-](F)(F)(F)(F)F.NCc1ccccc1.O>>CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1cccc(C(=O)NCc2ccccc2)c1 | 753 |
C1COCCO1.Cc1nccc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc12.O.O=[Se]=O>>CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4ccnc(C=O)c4cc3-c3ccccc3)cc2)CCC1 | 619 |
CC(=O)O.COc1c(C#N)cc(-c2ccccc2)c(F)c1N.O=C1CCC(=O)N1Br>>COc1c(N)c(F)c(-c2ccccc2)c(Br)c1C#N | 4 |
CC(C)(C)OC(=O)N1CCN(Cc2cn3c(-c4ccccc4[N+](=O)[O-])csc3n2)CC1.CO.O.O.[Na+].[SH-]>>CC(C)(C)OC(=O)N1CCN(Cc2cn3c(-c4ccccc4N)csc3n2)CC1 | 1 |
C1CCOC1.CO.COC(=O)C1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CC(=O)N1Cc1ccc(C#N)c(N)c1.O>>N#Cc1ccc(CN2C(=O)CN(S(=O)(=O)c3cc4ccc(Cl)cc4s3)CC2C(=O)O)cc1N | 88 |
C1CCOC1.CC(=O)OC(C)=O.NCCCNC(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1.O.c1ccncc1>>CC(=O)NCCCNC(=O)c1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)cc1 | 339 |
CI.CN(C)C=O.COC(=O)C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12.[H-]~[Na+]>>COC(=O)C(=O)c1cn(C)c2cc(OCc3ccccc3)ccc12 | 191 |
CCO.CN(c1ccc(Cl)cc1)C1CCN(c2ccc(O)cc2)CC1.O=P([O-])([O-])[O-]~[K+]~[K+]~[K+].O=[N+]([O-])c1cn(CCC2CO2)c(Cl)n1>>CN(c1ccc(Cl)cc1)C1CCN(c2ccc(OCC(O)CCn3cc([N+](=O)[O-])nc3Cl)cc2)CC1 | 277 |
CCN=C=NCCCN(C)C.CCc1[nH]c(C(=O)O)nc1Cl.CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1N.Cl.On1nnc2ccccc21>>CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2OC)nc1Cl | 951 |
CCOC(=O)N=NC(=O)OCC.CN(C)CCCO.O=C(Nc1nccs1)c1nc(-c2ccc(O)cc2)[nH]c1-c1ccc(F)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1>>CN(C)CCCOc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1 | 550 |
CC(C)=O.COC(=O)C(CCC1OCCO1)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12.Cl>>COC(=O)C(CCC=O)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12 | 740 |
CC1(C)OC[C@@H](Cn2ccc(N)n2)O1.CCN(C(C)C)C(C)C.CCOC(C)=O.CN(C)C=O.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.COc1ccc(OC2=CC(=O)N([C@@H](CC(C)C)C(=O)O)C2)cc1.F[P-](F)(F)(F)(F)F>>COc1ccc(OC2=CC(=O)N([C@@H](CC(C)C)C(=O)Nc3ccn(C[C@@H]4COC(C)(C)O4)n3)C2)cc1 | 795 |
CCOC(=O)Cc1ccc([N+](=O)[O-])cc1F.CO.[BH4-].[Na+]>>O=[N+]([O-])c1ccc(CCO)c(F)c1 | 225 |
C1CCOC1.COC(=O)c1ccc(C#N)c(OC)c1.[BH4-].[Li+]>>COc1cc(CO)ccc1C#N | 444 |
CCCCO.CCn1cnc2c(Nc3cccc(Cl)c3)nc(Cl)nc21.Nc1ccccc1N>>CCn1cnc2c(Nc3cccc(Cl)c3)nc(Nc3ccccc3N)nc21 | 592 |
CC#N.CCN(C(C)C)C(C)C.CN1CCCC1=O.Fc1ccc(-c2ccc3nc(Cl)nc(NCC(F)(F)F)c3n2)cc1.NCc1cccc(-n2cncn2)c1.O>>Fc1ccc(-c2ccc3nc(NCc4cccc(-n5cncn5)c4)nc(NCC(F)(F)F)c3n2)cc1 | 364 |
CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1CO.CCN(CC)CC.CS(C)=O.ClCCl.O.O=C(Cl)C(=O)Cl>>CC(C)(C)OC(=O)N1C[C@H](OS(C)(=O)=O)C[C@H]1C=O | 610 |
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.Cc1c(C(=O)O)cc(C2=NNC3(CCCCC3)C2)n1CC1CCCCC1.NC1CCOCC1.O>>Cc1c(C(=O)NC2CCOCC2)cc(C2=NNC3(CCCCC3)C2)n1CC1CCCCC1 | 674 |
CC(C)c1ccc(CC(=O)O)cc1.CCN(CC)CC.CCN=C=NCCCN(C)C.Cl.ClCCl.N#CC([NH3+])c1ccccc1.O.On1nnc2cccnc21.[Cl-]>>CC(C)c1ccc(CC(=O)NC(C#N)c2ccccc2)cc1 | 599 |
COCCCCCN.O=C(Cl)C(c1ccccc1)c1ccccc1>>COCCCCCNC(=O)C(c1ccccc1)c1ccccc1 | 45 |
CCOC(=O)CC1CCC(c2ncc(-c3ccc(N)cc3)s2)CC1.O=C(Cl)c1ccc(Cl)cc1Cl>>CCOC(=O)CC1CCC(c2ncc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)s2)CC1 | 11 |
CO.Cc1ncnc2c1c(NCc1ccc(N)nc1)cc(=O)n2OCc1ccccc1.[C].[H][H].[OH-].[OH-].[Pd+2]>>Cc1ncnc2c1c(NCc1ccc(N)nc1)cc(=O)n2O | 630 |
CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCOC(C)=O.CN(C)C=O.CNC(=O)c1cn(CCCCc2ccc(N)nn2)nn1.O=C(O)C(F)(F)F~O=C(O)Cc1cc(C2CCOCC2)ccn1>>CNC(=O)c1cn(CCCCc2ccc(NC(=O)Cc3cc(C4CCOCC4)ccn3)nn2)nn1 | 795 |
COc1cc(Br)ccc1C#N.O=Cc1cccc(B(O)O)c1>>COc1cc(-c2cccc(C=O)c2)ccc1C#N | 837 |
BrCCBr.CC1=CC(C)(C)Oc2cc(O)ccc21.CCCC[NH+](CCCC)CCCC.ClCCl.[Cl-].[Na+].[OH-].c1ccccc1>>CC1=CC(C)(C)Oc2cc(OCCBr)ccc21 | 75 |
CO.COC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)CNC(=O)OC(C)(C)C.NN~O>>C[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)C(=O)NCC(=O)NN | 130 |
CN(C)C=O.Cc1cncnc1Cl.O=C(O)c1ccc(B(O)O)cc1.O=C([O-])[O-]~[Na+]~[Na+]>>Cc1cncnc1-c1ccc(C(=O)O)cc1 | 884 |
CO.COc1cc(Br)ccc1C(=O)O.NN~O>>COc1cc(Br)ccc1C(=O)NN | 55 |
CCN(C(C)C)C(C)C.CN(C)C=O.ClCCCl.Nc1cnccc1C(=O)O.O=C(O)c1cccc(Br)c1.On1nnc2cccnc21>>O=C(Nc1cnccc1C(=O)O)c1cccc(Br)c1 | 759 |
C#CCCO.CCN(CC)CC.CCOC(C)=O.CN(C)C=O.Ic1ccc(C23CC4(c5ccc(I)cc5)CC(c5ccc(I)cc5)(C2)CC(c2ccc(I)cc2)(C3)C4)cc1.O.[Cu]I.c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1>>OCCC#Cc1ccc(C23CC4(c5ccc(I)cc5)CC(c5ccc(I)cc5)(CC(c5ccc(I)cc5)(C4)C2)C3)cc1 | 664 |
C1CCOC1.CCOCC.CO.COC(=O)C1CCCCC1c1nc(C)sc1Br.Cl.[Na+].[OH-]>>Cc1nc(C2CCCCC2C(=O)O)c(Br)s1 | 88 |
CN(C)C=O.Cc1ccccc1.O=C(O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cnc1Cl.O=S(Cl)Cl.[NH4+]~[OH-]>>NC(=O)c1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)cnc1Cl | 704 |
CCN(CC)CC.C[C@@]1(Cl)CS[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1.ClCCl.O=C(Cl)COc1ccccc1>>C[C@@]1(Cl)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OC(c1ccccc1)c1ccccc1 | 159 |
CC#N.C[C@H]1CNC[C@@H](C)O1.O=C([O-])[O-]~[K+]~[K+].O=[N+]([O-])c1ccc(F)cc1>>C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 | 26 |
C=CCNC(=O)OC(C)(C)C.CC(=O)[O-]~CC(=O)[O-]~[Pd+2].CCCC(CCC)C(=O)Nc1cccc(Br)c1.CCN(CC)CC.CN(C)C=O.Cc1ccccc1P(c1ccccc1C)c1ccccc1C>>CCCC(CCC)C(=O)Nc1cccc(/C=C/CNC(=O)OC(C)(C)C)c1 | 539 |
C1CCOC1.O=C(c1cc([N+](=O)[O-])cc(C(F)(F)F)c1)N1CCOCC1>>O=[N+]([O-])c1cc(CN2CCOCC2)cc(C(F)(F)F)c1 | 215 |
CC(C)(N)C(=O)Nc1nc(C(F)(F)F)c(C(=O)c2ccc(F)cc2)s1.CC1(C(=O)O)CC1.CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[P-](F)(F)(F)(F)F>>CC1(C(=O)NC(C)(C)C(=O)Nc2nc(C(F)(F)F)c(C(=O)c3ccc(F)cc3)s2)CC1 | 133 |
CN(C)C=O.Cc1cc(N2CCC[C@@H](N)C2)c2c(n1)n(C)c(=O)n2Cc1ccccc1C#N.N#Cc1ccccc1CBr.O=C([O-])[O-].[K+].[K+]>>Cc1cc(N2CCC[C@@H](NCc3ccccc3C#N)C2)c2c(n1)n(C)c(=O)n2Cc1ccccc1C#N | 446 |
COC(=O)C[C@@H]1CC[C@@H](c2ccc(NC(=O)C(=O)OC)cc2)CC1.ClCCl.O=C(OC(=O)C(F)(F)F)C(F)(F)F.O=[N+]([O-])[O-]~[NH4+]>>COC(=O)C[C@@H]1CC[C@@H](c2ccc(NC(=O)C(=O)OC)c([N+](=O)[O-])c2)CC1 | 103 |
Cc1cnc(C)c(O)c1CO.ClC(Cl)Cl.O=[Mn]=O>>Cc1cnc(C)c(O)c1C=O | 179 |
CCOC(=O)C(=O)OCC.CN(C)C=O.COc1ccc(C(C)=O)cc1.Cl.[H-].[Na+]>>CCOC(=O)C(=O)CC(=O)c1ccc(OC)cc1 | 526 |
C1CNCCN1.CC#N.CCOC(C)=O.ClCCl.Clc1cncc(-c2ccsc2)n1.O=C([O-])[O-]~[K+]~[K+]>>c1cc(-c2cncc(N3CCNCC3)n2)cs1 | 505 |
CCCCCCCCCCCC(=O)Cl.CCN(CC)CC.CC[Si](CC)(CC)c1cc(C(O)CO)co1.CC[Si](CC)(CC)c1cc(C=O)co1.C[Si](C)(C)c1ccoc1C=O>>CCCCCCCCCCCC(=O)OCC(O)c1coc([Si](CC)(CC)CC)c1 | 126 |
CN(C)C=O.CN(C)c1ccncc1.ClCCCl.NC(c1ccccc1)c1ccc(Cl)cc1.O=C(O)Cc1ccc(O)cc1.On1nnc2ccccc21>>O=C(Cc1ccc(O)cc1)NC(c1ccccc1)c1ccc(Cl)cc1 | 769 |
C1CCOC1.CI.OCc1cc(Br)c2occc2c1.[H-].[Na+]>>COCc1cc(Br)c2occc2c1 | 140 |
CCC(C)=O.COc1ccc(CCl)cc1.O=C([O-])[O-].[K+].[K+].c1ccc(-c2cc[nH]n2)cc1>>COc1ccc(Cn2ccc(-c3ccccc3)n2)cc1 | 842 |
C1CCNCC1.C1CCOC1.O.O=C(Cl)CCl.O=C([O-])[O-]~[K+]~[K+]>>O=C(CCl)N1CCCCC1 | 125 |
CCCCCCCCCCCCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)OCC.CCCCCCCCCCCCC(Oc1cccc([N+](=O)[O-])c1)C(=O)OCC.CCO.Cl.[Na+].[OH-]>>CCCCCCCCCCCCC(Oc1ccc([N+](=O)[O-])cc1)C(=O)O | 7 |
CCCCCCc1cc2c(cc1OCCCC(=O)OCC)C(=O)C(C)(C)C2.CCO.O.[K+].[OH-]>>CCCCCCc1cc2c(cc1OCCCC(=O)O)C(=O)C(C)(C)C2 | 7 |
C1CCOC1.CC(C)(C)OC(=O)NCCCO[Si](C)(C)C(C)(C)C.CCCCCC.CCOC(C)=O.CI.[H-].[Na+]>>CN(CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C | 803 |
C1CCOC1.CCN(C(C)C)C(C)C.CO[Si](CCCN)(OC)OC.O=C(Oc1c(F)c(F)c(F)c(F)c1F)C(F)(F)F.[N-]=[N+]=Nc1ccc(CCC(=O)O)cc1>>CO[Si](CCCNC(=O)CCc1ccc(N=[N+]=[N-])cc1)(OC)OC | 230 |
CO.Cc1ccc(S(=O)(=O)O)cc1~O.O=C(O)c1cc(Br)ccc1F>>COC(=O)c1cc(Br)ccc1F | 33 |
COc1ncccc1Br.O=C1N(c2ccc(OC(F)(F)F)cc2)CCC12CCNCC2>>COc1ncccc1N1CCC2(CC1)CCN(c1ccc(OC(F)(F)F)cc1)C2=O | 597 |
Cc1ccc(N)cc1-c1ccc2nc(N)ncc2c1.O=C=NCc1ccccc1.c1ccccc1>>Cc1ccc(NC(=O)NCc2ccccc2)cc1-c1ccc2nc(N)ncc2c1 | 888 |
CCN(CC)CC.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.CN(C)C=O.COc1ccc2[nH]cc(CCN)c2c1.O=C(O)c1cncc(Br)c1>>COc1ccc2[nH]cc(CCNC(=O)c3cncc(Br)c3)c2c1 | 674 |
C1CCOC1.CCOC(C)=O.CCOCC.CO.O=C(O)c1ccc(Oc2ccccc2)cc1.O=S(=O)(O)O.[BH4-].[Na+].[Na+].[OH-]>>OCc1ccc(Oc2ccccc2)cc1 | 72 |
CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCC(ON2C(=O)c3ccccc3C2=O)CC1.CCO.ClCCl.NN~O>>CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CCC(ON)CC1 | 452 |
COC(=O)C1CCCN(c2ccc(F)cc2)C(=O)C1.COCCOC.Cl.[Li+]~[OH-]>>O=C(O)C1CCCN(c2ccc(F)cc2)C(=O)C1 | 88 |
CC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F.Cc1cccc(C=O)c1>>Cc1cccc(C=CC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)c1 | 295 |
CC1C(O)CCCN1C(=O)OC(C)(C)C.CCN(C(C)C)C(C)C.CS(C)=O.ClCCl.O=C(Cl)C(=O)Cl>>CC1C(=O)CCCN1C(=O)OC(C)(C)C | 650 |
CS(C)=O.ClCCl.OCCCc1ccc2ncccc2c1>>O=CCCc1ccc2ncccc2c1 | 142 |
CO~ClCCl.N.O=C(N(Cc1ccnc2ccccc12)[C@H]1CCN[C@H](Cc2ccccc2)C1)C(F)(F)F.O=C(O)c1ccc2ccccc2n1.O=S(Cl)Cl>>O=C(c1ccc2ccccc2n1)N1CC[C@H](N(Cc2ccnc3ccccc23)C(=O)C(F)(F)F)C[C@H]1Cc1ccccc1 | 605 |
C1CCNCC1.CC#N.CN(C)C=O.Cc1ccc(Cn2nc(-c3nc(-c4ccc(CBr)cc4)no3)cc2C)cc1.O.O=C(O)C(F)(F)F.[H-].[Na+]>>Cc1ccc(Cn2nc(-c3nc(-c4ccc(CN5CCCCC5)cc4)no3)cc2C)cc1 | 248 |
CO.COc1ccc(OC)c(C(=O)CN2CCC(n3ccc4ccc(C(N)=O)cc43)CC2)c1.ClCCl.[BH4-]~[Na+]>>COc1ccc(OC)c(C(O)CN2CCC(n3ccc4ccc(C(N)=O)cc43)CC2)c1 | 24 |
CC(=O)CC(C)C.CC1CC(n2c(=O)[nH]c3cc(Cl)ccc32)CCN1.Fc1ccc(C(CCCCl)c2ccc(F)cc2)cc1.O.O=C([O-])[O-].[I-].[K+].[Na+].[Na+]>>CC1CC(n2c(=O)[nH]c3cc(Cl)ccc32)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1 | 138 |
C1CCOC1.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)NCCN.CO>>CC(C)(C)OC(=O)NCCNC1CCN(C(=O)OC(C)(C)C)CC1 | 236 |
CC(=O)O.CC(=O)O[BH-](OC(C)=O)OC(C)=O~[Na+].CCOC(=O)C1CCNCC1.ClCCCl.O.O=Cc1ccc2ccc(O[C@@H]3CC[C@H](C(F)(F)F)CC3)c(Cl)c2c1>>CCOC(=O)C1CCN(Cc2ccc3ccc(O[C@@H]4CC[C@H](C(F)(F)F)CC4)c(Cl)c3c2)CC1 | 567 |
CI.CN(C)C=O.O.O=C([O-])[O-].O=Cc1c(O)cc(Cl)cc1Cl.[K+].[K+]>>COc1cc(Cl)cc(Cl)c1C=O | 62 |
C=CCBr.CC(C)=O.COc1nc(C(F)(F)F)cc(=O)n1-c1cc(O)c(Cl)cc1F.O=C([O-])[O-].[Na+].[Na+]>>C=CCOc1cc(-n2c(OC)nc(C(F)(F)F)cc2=O)c(F)cc1Cl | 77 |
CC(C)(C)c1nnc(NC(=O)Oc2ccccc2)s1.Nc1cccc(C#Cc2cnc(N)nc2)c1.O=C(Cl)Oc1ccccc1>>Nc1ncc(C#Cc2cccc(NC(=O)Oc3ccccc3)c2)cn1 | 102 |
CCN(CC)CC.CCN=C=NCCCN(C)C.CN(C)C=O.CN1C2CCCC1CC(N)C2.Cl.Cl.Cl.ClCCl.O=C(O)c1cc(Cl)cc2oc(-c3ccsc3)nc12.On1nnc2ccccc21>>CN1C2CCCC1CC(NC(=O)c1cc(Cl)cc3oc(-c4ccsc4)nc13)C2 | 674 |
CCCCCC.CCOC(C)=O.CO.COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCCCCCCO[Si](C)(C)C(C)(C)C)cc1.Cc1ccc(S(=O)(=O)[O-])cc1~c1cc[nH+]cc1>>COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCCCCCCCO)cc1 | 708 |
CCOC(C)=O.CN~Cl.CO.COC(=O)COc1ccc(C(C)=O)cc1-c1cccc(C(F)(F)F)c1.[BH3-]C#N~[Na+]>>CNC(C)c1ccc(OCC(=O)OC)c(-c2cccc(C(F)(F)F)c2)c1 | 693 |
End of preview. Expand
in Dataset Viewer.
README.md exists but content is empty.
- Downloads last month
- 37