smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC[Mg+].[Br-].CON(C(=O)C1=NNC(=C1)C)C>C1CCCO1>CC1=NNC(=C1)C(CC)=O | 3 |
CN=C=O.OC1=NSC(=N1)OCCC>C1CCCO1.CCN(CC)CC>CNC(=O)N1SC(=NC1=O)OCCC | 3 |
C(#N)C1=NC=C(C(=O)O)C=C1.NCCNC(=O)C=1C(=NN(C1)C1=CC=CC=C1)C(F)(F)F>CC#N.O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(#N)C1=NC=C(C(=O)NCCNC(=O)C=2C(=NN(C2)C2=CC=CC=C2)C(F)(F)F)C=C1 | 3 |
[C:1]1(=[O:10])[CH:5]2[CH2:6][CH2:7][CH2:8][CH:4]2[C:3](=[O:9])[O:2]1.O1CCCC1.[Br-].[S:17]1[CH:21]=[CH:20][N:19]=[C:18]1[Zn+]>C(OCC)C.[OH-].[Na+].C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[S:... | 2 |
ClCC1=NC(=CC=C1)F.C(C)(C)(C)OC(NC1=NC(=CC(=C1)N1CCSCC1)CSC=1OC(=C(N1)C)C)=O>>C(C)(C)(C)OC(N(CC1=NC(=CC=C1)F)C1=NC(=CC(=C1)N1CCSCC1)CSC=1OC(=C(N1)C)C)=O | 5 |
CC1OCCC1.C(C)(C)(C)C=1C(=CC2=C(C(C(O2)=O)(C)C)C1)NC(=O)C1=CNC2=CC=CC=C2C1=O>>C(C)(C)(C)C1=C(C=C(C(=C1)C(CO)(C)C)O)NC(=O)C1=CNC2=CC=CC=C2C1=O | 5 |
CS(=O)(=O)Cl.C(C)(C)(C)OC(=O)N1CC(C1)O>CCN(CC)CC.C(C)(=O)OCC>CS(=O)(=O)OC1CN(C1)C(=O)OC(C)(C)C | 3 |
ClC(C(=O)C1=C(C=C(C=C1)Cl)Cl)=CO>C(=O)(C=1NC=CN1)C=1NC=CN1.C1=CC=CC=C1>ClC(C(=O)C1=C(C=C(C=C1)Cl)Cl)=CN1C=NC=C1 | 3 |
[CH3:1][N:2]1[CH2:15][CH2:14][C:13]2[C:12]3[CH:11]=[C:10]([CH3:16])[CH:9]=[CH:8][C:7]=3[NH:6][C:5]=2[CH2:4][CH2:3]1.N1CCC[C@H]1C(O)=O.[O-]P([O-])([O-])=O.[K+].[K+].[K+].Br[CH:34]=[C:35]([C:37]1[CH:42]=[CH:41][C:40]([Cl:43])=[CH:39][C:38]=1[Cl:44])[CH3:36]>CN(C=O)C.[Cu]I>[Cl:44][C:38]1[CH:39]=[C:40]([Cl:43])[CH:41]=[CH:... | 1 |
C(C)(=O)OC(C)=O.COC(CC1=C(C=C(C=C1)Cl)[N+](=O)[O-])=O>>COC(CC1=C(C=C(C=C1)Cl)NC(C)=O)=O | 5 |
N1C=NC2=C1C=CC=C2.ClCC=1SC=CC1>N(C)(C)C=O.O.[H-].[Na+]>S1C(=CC=C1)CN1C=NC2=C1C=CC=C2 | 3 |
NC1=CC=CC=C1.COC(=O)C1=CC(=NC2=CC=C(C=C12)N)C=1OC=CC1>>COC(=O)C1=CC(=NC2=CC=C(C(=C12)N=NC1=CC=CC=C1)N)C=1OC=CC1 | 5 |
[F:1][C:2]([F:13])([F:12])[C:3]1[N:8]=[CH:7][C:6]([CH2:9][C:10]#[N:11])=[CH:5][CH:4]=1.[CH3:14][N:15]1[C:19]2[CH:20]=[CH:21][C:22]([N+]([O-])=O)=[CH:23][C:18]=2[N:17]([CH3:27])[C:16]1=[O:28]>CO.[Pd]>[CH3:27][N:17]1[C:18]2[CH:23]=[CH:22][C:21]([NH:11][CH2:10][CH2:9][C:6]3[CH:7]=[N:8][C:3]([C:2]([F:12])([F:1])[F:13])=[CH... | 1 |
[F:1][C:2]1[C:7]([CH:8]([OH:22])[C:9]2[C:17]3[C:12](=[N:13][CH:14]=[C:15]([C:18]([F:21])([F:20])[F:19])[CH:16]=3)[NH:11][CH:10]=2)=[C:6]([F:23])[CH:5]=[CH:4][C:3]=1[NH:24][S:25]([CH2:28][CH2:29][CH3:30])(=[O:27])=[O:26].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>ClCCl.O1CCCC1>[F:1][C:2]1[C:7]([C:8]([C:9]2[C:17]3[C:1... | 2 |
BrCCF.N1C=C(C=C1)C(=O)OC>O.[H-].[Na+]>FCCN1C=C(C=C1)C(=O)OC | 3 |
CC1=C(C=CC=C1)N=C=O.NC=1SC=C(N1)CC(=O)O>>C1(=C(C=CC=C1)NC(NC=1SC=C(N1)CC(=O)O)=O)C | 5 |
C(C)(C)(C)OC(N(C1=CN=CC(=N1)N1CCNCC1)CC1=CC(=CC=C1)F)=O>CO[H].Cl>Cl.FC=1C=C(CNC2=CN=CC(=N2)N2CCNCC2)C=CC1 | 3 |
ClC1=CC=C(CBr)C=C1.ClC1=NC=2N(C(N(C(C2N1)=O)CCCO)=O)CC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>ClC1=NC=2N(C(N(C(C2N1CC1=CC=C(C=C1)Cl)=O)CCCO)=O)CC | 3 |
C[O:2][C:3]([C:5]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([O:15][CH3:16])[CH:13]=2)[N:8]=[CH:7][C:6]=1[OH:17])=O.[H-].[Al+3].[Li+].[H-].[H-].[H-]>O1CCCC1>[OH:2][CH2:3][C:5]1[C:14]2[C:9](=[CH:10][CH:11]=[C:12]([O:15][CH3:16])[CH:13]=2)[N:8]=[CH:7][C:6]=1[OH:17] | 1 |
[NH2:1][C:2]1[N:6]([CH3:7])[N:5]=[CH:4][C:3]=1[C:8]([NH:10][CH2:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[CH:14]=1)=[O:9].[CH2:20]([O:27][C:28]1[CH:36]=[CH:35][CH:34]=[CH:33][C:29]=1[C:30](Cl)=[O:31])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>C1COCC1.N1C=CC=CC=1>[F:19][C:15]1[CH:14]=[C:13]([CH2:12][CH... | 2 |
BrC=1C=NC=NC1.C(C)(C)(C)OC(=O)N1C2CC(CC1CC2)=O>C1CCCO1.C(CCC)[Li]>C(C)(C)(C)OC(=O)N1C2CC(CC1CC2)(C=2C=NC=NC2)O | 3 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1.[O:11]1[CH2:16][CH2:15][NH:14][S:13](=[O:18])(=[O:17])[CH2:12]1.C([O-])([O-])=O.[Cs+].[Cs+].O>CN(C=O)C>[N+:8]([C:5]1[CH:6]=[CH:7][C:2]([N:14]2[CH2:15][CH2:16][O:11][CH2:12][S:13]2(=[O:18])=[O:17])=[CH:3][CH:4]=1)([O-:10])=[O:9] | 2 |
C(C1=CC=CC=C1)OC=1C(=C(C(=O)NC2=NC=C(C=C2)Cl)C=CC1)[N+](=O)[O-]>>NC1=C(C(=O)NC2=NC=C(C=C2)Cl)C=CC=C1O | 5 |
[CH2:1]([N:3]1[CH:7]=[C:6]([C:8]([OH:10])=[O:9])[C:5]([CH:11]([F:13])[F:12])=[N:4]1)C.ClC1[N:20]=[CH:19][C:18]([F:21])=[CH:17][N:16]=1.C([O-])([O-])=O.[K+].[K+].O.CN1C(=O)C[CH2:32][CH2:31]1>>[F:12][CH:11]([F:13])[C:5]1[C:6]([C:8]([O:10][CH2:31][CH3:32])=[O:9])=[CH:7][N:3]([C:1]2[N:20]=[CH:19][C:18]([F:21])=[CH:17][N:16... | 1 |
[F:1][C:2]([F:43])([F:42])[C:3]1[CH:4]=[C:5]([CH:9]([NH:34]C(=O)OC(C)(C)C)[C:10]2[N:11]=[CH:12][N:13](C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[CH:14]=2)[CH:6]=[CH:7][CH:8]=1.[ClH:44]>O1CCOCC1>[ClH:44].[ClH:44].[NH:13]1[CH:14]=[C:10]([CH:9]([C:5]2[CH:6]=[CH:7][CH:8]=[C:3]([C:2]([F:1])([F:42])[F:43])[CH:4]=2)[NH2:34])[N:1... | 2 |
[C:1]([O:8][CH3:9])(=[O:7])[CH2:2][C:3]([O:5][CH3:6])=[O:4].[C:10]([O-])(=O)[CH2:11][C:12]([O-])=O.[CH2:17](N1CCOCC1)C.[CH:25]1[CH:30]=[C:29]2N=N[N:33](O)[C:28]2=[CH:27][CH:26]=1.O.CCN=C=NCCCN(C)C.[C:47]([C:51]1[CH:52]=[C:53]([CH:60]=[CH:61][CH:62]=1)[O:54][CH:55]([CH3:59])[C:56]([OH:58])=O)([CH3:50])([CH3:49])[CH3:48]... | 1 |
C(#N)C=1C=C(C=CC1S(=O)(=O)C(C)C)NC(OC)=O>C1CCCO1.[HH].[Ni]>NCC=1C=C(C=CC1S(=O)(=O)C(C)C)NC(OC)=O | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:9]([O:20][CH3:21])[C:10]2([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])[CH2:12][CH2:11]2)[CH:5]=[CH:6][C:7]=1[Cl:8].[Cl:22][C:23]1[CH:28]=[CH:27][C:26]([C@H:29]([C@@H:33]([CH3:38])[C:34]([F:37])([F:36])[F:35])[C:30](O)=[O:31])=[CH:25][CH:24]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C... | 1 |
Cl[C:2]1[C:3]2[CH2:17][CH2:16][CH2:15][C:4]=2[N:5]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([Cl:14])[CH:9]=2)[N:7]=1.[NH2:18][C:19]1[CH:24]=[CH:23][C:22]([CH2:25][CH2:26][OH:27])=[CH:21][CH:20]=1>>[Cl:14][C:10]1[CH:9]=[C:8]([C:6]2[N:7]=[C:2]([NH:18][C:19]3[CH:24]=[CH:23][C:22]([CH2:25][CH2:26][OH:27])=[CH:21][CH:20]=3... | 1 |
CN(CCNC)C.ClC1=CC=C(C=N1)N1CCC2=C1N=C(N=C2C=2C=NC(=NC2)N(CC2=CC=C(C=C2)OC)CC2=CC=C(C=C2)OC)N2CCOCC2>>COC1=CC=C(CN(C2=NC=C(C=N2)C=2C3=C(N=C(N2)N2CCOCC2)N(CC3)C=3C=CC(=NC3)N(CCN(C)C)C)CC3=CC=C(C=C3)OC)C=C1 | 5 |
[C:1]([C:4]1[CH:13]=[CH:12][C:11]([OH:14])=[C:10]2[C:5]=1[CH:6]=[CH:7][C:8](=[O:15])[NH:9]2)(=[O:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[CH2:22](Br)[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>CN(C)C=O>[C:1]([C:4]1[CH:13]=[CH:12][C:11]([O:14][CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[C:10]2[C:5]=1[CH:6]=[... | 1 |
[CH3:1][N:2]1[N:6]=[C:5]([NH2:7])[CH:4]=[N:3]1.[Al](Cl)(C)C.[CH3:12][C:13]1[O:14][C:15]2[CH:21]=[C:20]([C:22](OCC)=[O:23])[CH:19]=[C:18]([O:27][CH:28]3[CH2:31][N:30]([S:32]([CH3:35])(=[O:34])=[O:33])[CH2:29]3)[C:16]=2[CH:17]=1>ClCCl>[CH3:12][C:13]1[O:14][C:15]2[CH:21]=[C:20]([C:22]([NH:7][C:5]3[CH:4]=[N:3][N:2]([CH3:1]... | 1 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH2:9][C:10]2[CH:15]=[CH:14][N:13]([C:16]3[CH:21]=[CH:20][C:19]([O:22][CH2:23]OCC[Si](C)(C)C)=[C:18]([O:31][CH3:32])[CH:17]=3)[C:12](=[O:33])[CH:11]=2)=[CH:4][CH:3]=1.[CH3:34]O.Cl.[O:37]1[CH2:42][CH2:41]OCC1>C(Cl)Cl>[F:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][CH2:9][C:10]2[CH:15]=[CH:14][N:1... | 1 |
[CH3:1][NH:2][C:3]1[CH:4]=[N:5][CH:6]=[CH:7][C:8]=1[C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=1[CH3:15].[Cl:16][C:17]1[CH:18]=[C:19]([CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[N:25]=1)[C:20]([OH:22])=O>>[Cl:16][C:17]1[CH:18]=[C:19]([CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[N:25]=1)[C:20]([N:2]([CH3:1])[C:3]1[CH:4]... | 1 |
O1CCC(=CC1)C1=NC=C2N1C=C(NC2=O)C>C1CCCO1.[HH].[Pd]>CC=1NC(C=2N(C1)C(=NC2)C2CCOCC2)=O | 3 |
[N:1]([CH:4]1[CH2:17][C:6]2([CH2:9][N:8]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:7]2)[CH2:5]1)=[N+]=[N-]>C(O)C.[Pd].CC([O-])=O.CC([O-])=O.[Pb+2]>[NH2:1][CH:4]1[CH2:5][C:6]2([CH2:9][N:8]([C:10]([O:12][C:13]([CH3:15])([CH3:14])[CH3:16])=[O:11])[CH2:7]2)[CH2:17]1 | 1 |
CC1=CC=C(C=C1)S(=O)(=O)OCCF.ClC1=CC(=C(CN2CCCC23CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)C=C1)N1CCNCC1>CC#N.C([O-])([O-])=O.[K+].[K+].C([O-])([O-])=O.[Na+].[Na+].CC(C)(C)O>ClC1=CC(=C(CN2CCCC23CCN(CC3)C(=O)OC(C(F)(F)F)C(F)(F)F)C=C1)N1CCN(CC1)CCF | 3 |
[N+](=O)([O-])C=1C=NNC1.CS(=O)(=O)O[C@H]1CN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.[H-].[Na+]>[N+](=O)([O-])C=1C=NN(C1)[C@@H]1CN(CC1)C(=O)OC(C)(C)C | 3 |
FC1=C(C(=O)O)C=CC(=C1)C1=NN(C=C1)C1OCCCC1.C[C@@H]1N(CCC1)CC1=CC2=NC=C(C=C2N1COCC[Si](C)(C)C)N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC1=C(C(=O)NC=2C=C3C(=NC2)C=C(N3COCC[Si](C)(C)C)CN3[C@H](CCC3)C)C=CC(=C1)C1=NN(C=C1)C1OCCCC1 | 3 |
[CH3:1][N:2]1[C:14]2[CH2:13][CH2:12][CH2:11][C:10](=[N:15]O)[C:9]=2[C:8]2[C:3]1=[CH:4][CH:5]=[CH:6][CH:7]=2.[O:17]1CCOCC1>>[CH3:1][N:2]1[C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][C:8]=2[C:9]2[C:10](=[O:17])[NH:15][CH2:11][CH2:12][CH2:13][C:14]1=2 | 1 |
COC1=CC=C(CCl)C=C1.BrC=1C(NC=NC1C(F)F)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C(N(C=NC1C(F)F)CC1=CC=C(C=C1)OC)=O | 3 |
NC1=CC=C(C(=O)O)C=C1.Cl.C(C)C(C(=O)O)CN>>C(C)OC(CCNC(C1=CC=C(C=C1)N)=O)=O | 5 |
C(C1=CC=CC=C1)O.BrC1=C(C#N)C(=CC=N1)Br>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC1=CC=NC(=C1C#N)Br | 3 |
C1(=CC=CC=C1)CCO[C@@H]1CC[C@H](CC1)N1C(C2=CC=CC=C2C1=O)=O>>C1(=CC=CC=C1)CCO[C@@H]1CC[C@H](CC1)N | 5 |
[Br:1][C:2]1[CH:7]=[C:6]([C:8](=[N:16][NH:17]C(OC(C)(C)C)=O)[CH:9]([O:13][CH2:14][CH3:15])[O:10][CH2:11][CH3:12])[C:5](F)=[CH:4][N:3]=1.[H-].[Na+].CCOC(C)=O>C1COCC1>[Br:1][C:2]1[CH:7]=[C:6]2[C:8]([CH:9]([O:13][CH2:14][CH3:15])[O:10][CH2:11][CH3:12])=[N:16][NH:17][C:5]2=[CH:4][N:3]=1 | 2 |
B.[Br:2][C:3]1[CH:4]=[C:5]([CH2:9][C:10]([NH:12][CH3:13])=O)[CH:6]=[CH:7][CH:8]=1.[ClH:14]>O1CCCC1>[ClH:14].[Br:2][C:3]1[CH:4]=[C:5]([CH2:9][CH2:10][NH:12][CH3:13])[CH:6]=[CH:7][CH:8]=1 | 1 |
Cl.COC(C(C)(C)N)=O.C(CCC)[C@@]1(CS(C2=C([C@H](N1)C1=CC=CC=C1)C=C(C(=C2)CCC(=O)O)OC)(=O)=O)CC>ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(CCC)[C@@]1(CS(C2=C([C@H](N1)C1=CC=CC=C1)C=C(C(=C2)CCC(=O)NC(C)(C(=O)OC)C)OC)(=O)=O)CC | 3 |
ClC=1C=C(C=CC1Cl)B(O)O.O[C@@H](CN(C(OC(C)(C)C)=O)C[C@@H]1OC2=CC=C(C=C2CC1)I)C=1C=NC=CC1>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+]>ClC=1C=C(C=CC1Cl)C=1C=C2CC[C@@H](OC2=CC1)CNC[C@H](O)C=1C=NC=CC1 | 3 |
C(C)(C)(C)OC(=O)NC1(COC1)C(=O)O.CO[C@H](CC(=O)N1[C@@H](CCC1)[C@@H]([C@H](C(NCCC1=CC=CC=C1)=O)C)OC)[C@H]([C@H](CC)C)N(C([C@@H](N)C(C)C)=O)C>N(C)(C)C=O.ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)OC(=O)NC1(COC1)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@H]([C@@H](CC(=O)N1[C@@H](CCC1)[C@... | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:14]=[CH:15][C:16]=1[Cl:17])[CH2:5][N:6]1[CH2:11][CH2:10][O:9][CH:8]([CH2:12][NH2:13])[CH2:7]1.C(O)(=O)[C@@H]([C@H](C(O)=O)O)O>CO>[Cl:1][C:2]1[CH:3]=[C:4]([CH:14]=[CH:15][C:16]=1[Cl:17])[CH2:5][N:6]1[CH2:11][CH2:10][O:9][C@H:8]([CH2:12][NH2:13])[CH2:7]1 | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1F)[CH:5]=[O:6].[CH3:11][S-:12].[Na+].O>CN(C)C=O>[Cl:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[S:12][CH3:11])[CH:5]=[O:6] | 1 |
C(#N)C1CCNCC1.BrC1=CC=CC=2N1N=CN2>CS(=O)C.C(C)(C)N(C(C)C)CC>N=1C=NN2C1C=CC=C2N2CCC(CC2)C#N | 3 |
FC1=CC(=C(C=C1)C1=C(C=CC=C1)N(S(=O)(=O)C1=CC=C(C=C1)OC)COCC[Si](C)(C)C)[C@@H](C)O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC1=CC(=C(C=C1)C1=C(C=CC=C1)NS(=O)(=O)C1=CC=C(C=C1)OC)[C@@H](C)O | 3 |
N1(CCCC2=CC=CC=C12)C=1C(=NC=CC1)C#N>>N1(CCCC2=CC=CC=C12)C=1C(=NC=CC1)CN | 5 |
C(\C=C\C)(=O)OCC.C(C)C(CC)(C1=CC(=C(C=C1)OS(=O)(=O)C(F)(F)F)C)C1=CC(=C(C=C1)OC(C(C)(C)C)=O)C>N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].C(O)([O-])=O.[Na+].[Br-].[Li+].C=1C=CC(=CC1)P(CCCP(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4>C(C)OC(\C=C(/C)\C1=C(C=C(C=C1)C(... | 3 |
NC=1SC2=C(N1)C(=CC=C2)Cl>O.Br.N(=O)[O-].[Na+].[Cu]Br>BrC=1SC2=C(N1)C(=CC=C2)Cl | 3 |
ClC1=C(C=C(C(=O)O)C=C1)S(N)(=O)=O.Cl.Cl.C(C)OC=1C=C(C=CC1)C1(CCNCC1)CCN1C2CC(CC1CC2)N2C(=NC1=C2C=CC=C1)C>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>ClC1=C(C=C(C=C1)C(=O)N1CCC(CC1)(CCN1[C@H]2CC(C[C@@H]1CC2)N2C(=NC1=C2C=CC=C1)C)C1=CC(=CC=C1)OCC)S(=O)(=O)N | 3 |
FC1=C(C=CC=C1)B(O)O.BrC1=NC=C(C=C1)C=O>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>FC1=C(C=CC=C1)C1=NC=C(C=O)C=C1 | 3 |
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=CC2=C(CN(C(CO2)CCC(=O)OCC)C(=O)OC(C)(C)C)C1>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=CC2=C(CN(C(CO2)CCC(=O)O)C(=O)OC(C)(C)C)C1 | 5 |
ClC1=NC=C(C(=C1)N)I.FC=1C=C(C(=NC1)OC)C#CC>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].[Cl-].[Li+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>ClC1=CC2=C(C=N1)C(=C(N2)C=2C(=NC=C(C2)F)OC)C | 3 |
Cl[C:2]1[N:7]2[N:8]=[CH:9][CH:10]=[C:6]2[N:5]=[C:4]([NH2:11])[CH:3]=1.B(O)(O)[C:13]1[CH:14]=[CH:15][C:16]([CH3:19])=[CH:17][CH:18]=1>>[C:16]1([CH3:19])[CH:17]=[CH:18][C:13]([C:2]2[N:7]3[N:8]=[CH:9][CH:10]=[C:6]3[N:5]=[C:4]([NH2:11])[CH:3]=2)=[CH:14][CH:15]=1 | 1 |
FC(OC1=C(C=CC=C1)B(O)O)(F)F.C(C)C=1C(=NN(C1C)C1=CC(=CC=C1)Br)C(=O)N>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(CC)O.C1(=CC=CC=C1)C>CC1=CC(=NN1C=1C=C(C=CC1)C1=C(C=CC=C1)OC(F)(F)F)C(=O)N | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10](=[O:20])[NH:11][C:12]2[CH:17]=[CH:16][C:15]([NH2:18])=[CH:14][C:13]=2[OH:19])=[CH:5][CH:4]=1)#[N:2].N1C=CC=CC=1.[N+](C1C=CC=CC=1)([O-])=O.[C:36](Cl)(=[O:40])[C:37]([CH3:39])=[CH2:38]>O.C(#N)C>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10](=[O:20])[NH:11][C:12]2[CH:17]=[CH:16][C:... | 1 |
[Cl:1][C:2]1[C:3]([NH:29][C:30](=[O:38])[CH2:31][CH:32]2[CH2:37][CH2:36][CH2:35][CH2:34][CH2:33]2)=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([N:12]1[CH2:17][CH2:16][CH2:15][C@H:14]([NH:18][CH2:19][CH2:20][O:21][Si](C(C)(C)C)(C)C)[CH2:13]1)[CH:6]=[CH:5]2.Cl>O1CCOCC1>[Cl:1][C:2]1[C:3]([NH:29][C:30](=[O:38])[CH2:31][CH:32... | 1 |
COCOC=1C=CC(=C(N)C1)C.BrC=1C(=NC(=CC1)Cl)C(C#N)C#N>N(C)(C)C=O.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>NC1=C(C2=NC(=CC=C2N1C1=C(... | 3 |
C1(=CC=CC=C1)S(=O)(=O)Cl.FC(C1=C2C=CNC2=CC=C1)(F)F>>C1(=CC=CC=C1)S(=O)(=O)N1C=CC2=C(C=CC=C12)C(F)(F)F | 5 |
NC=1C=NC2=CC(=CC=C2C1NCCCNC(OC(C)(C)C)=O)Br>>BrC=1C=CC=2C3=C(C=NC2C1)NC(N3CCCNC(OC(C)(C)C)=O)=S | 5 |
FC(C(=O)NCCN1CCN(CC1)C1=C(C=NC2=NC=C(C=C12)OC)Cl)(F)F>>ClC=1C=NC2=CC=C(C=C2C1N1CCN(CC1)CCN)OC | 5 |
C(=O)(OC(C)(C)C)N1CCNCC1.FC1=CC=C(C=N1)C1C(NC(CC1)=O)=O>O.CS(=O)C>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=C1)C1C(NC(CC1)=O)=O | 3 |
ClC1=C(C(=C(C=C1)[C@H](CC)N[S@@](=O)C(C)(C)C)F)OC1=CC(=CC=C1)C=O>CO[H].[Na+].[BH4-]>ClC1=C(C(=C(C=C1)[C@H](CC)N[S@@](=O)C(C)(C)C)F)OC1=CC(=CC=C1)CO | 3 |
[C:1]([O:5][C:6](=[O:20])[NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([C:14]2[NH:15][N:16]=[CH:17][CH:18]=2)[C:9]=1[F:19])([CH3:4])([CH3:3])[CH3:2].C1C(=O)N([Br:28])C(=O)C1>C(Cl)Cl>[C:1]([O:5][C:6](=[O:20])[NH:7][C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([C:14]2[NH:15][N:16]=[CH:17][C:18]=2[Br:28])[C:9]=1[F:19])([CH3:4])([CH3:2]... | 2 |
COC1=CC(=C(C(=O)O)C=C1OC)[N+](=O)[O-]>>OC=1C(=CC(=C(C(=O)O)C1)[N+](=O)[O-])OC | 5 |
C(C)(C)C1=CC=C(C=O)C=C1.COC(=O)C(NC(=O)OCC1=CC=CC=C1)P(=O)(OC)OC>>C(C1=CC=CC=C1)OC(=O)N\C(\C(=O)OC)=C/C1=CC=C(C=C1)C(C)C | 5 |
Cl.[CH2:2]([NH:4][CH2:5][C:6]1[CH:11]=[C:10]([Br:12])[CH:9]=[CH:8][C:7]=1[O:13][CH2:14][CH2:15][CH3:16])[CH3:3].Cl[C:18]1[N:19]=[N:20][C:21]([C:24]#[N:25])=[CH:22][CH:23]=1.C(=O)([O-])O.[Na+].C(OCC)(=O)C>CN1C(=O)CCC1>[Br:12][C:10]1[CH:9]=[CH:8][C:7]([O:13][CH2:14][CH2:15][CH3:16])=[C:6]([CH:11]=1)[CH2:5][N:4]([C:18]1[N... | 1 |
C1=C(C=CC2=CC=CC=C12)C(C=C)O>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl.[O-2].[Al+3].[O-2].[O-2].[Al+3]>C1=C(C=CC2=CC=CC=C12)C(C=C)=O | 3 |
[CH:1]([O:4][C:5]1[CH:13]=[CH:12][C:11]([C:14]#[C:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[O:22][CH3:23])=[CH:10][C:6]=1[C:7]([OH:9])=O)([CH3:3])[CH3:2].[NH2:24][C@H:25]([CH2:29][C:30]1[C:38]2[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=2)[NH:32][CH:31]=1)[CH2:26][CH2:27][OH:28].C1C=C2N=NN(O)C2=CC=1.O.C(Cl)CCl>CN(C=O)... | 2 |
[OH-].[K+].Cl.[NH2:4][C@:5]1([C:24]([OH:26])=[O:25])[C@H:18]2[C@H:13]([CH2:14][CH2:15][C:16]3([O:22][CH2:21][CH2:20][O:19]3)[CH2:17]2)[O:12][C:11]2[C:6]1=[CH:7][C:8]([Br:23])=[CH:9][CH:10]=2>O>[NH2:4][C@:5]1([C:24]([OH:26])=[O:25])[C@@H:18]2[C@H:13]([CH2:14][CH2:15][C:16]3([O:22][CH2:21][CH2:20][O:19]3)[CH2:17]2)[O:12]... | 2 |
C(=O)=O.C(C1=CC=CC=C1)N1C(CCC1)=C(C1=CC(=C(C=C1)OC)OC)C(=O)OCC>Cl.[OH-].[Na+]>C(C1=CC=CC=C1)N1C(CCC1)=CC1=CC(=C(C=C1)OC)OC | 3 |
FC=1C=C(C=CC1OC)O>O.C1CCCO1.C=O.CCN(CC)CC.Cl>FC1=CC(=C(C=O)C=C1OC)O | 3 |
[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][C:11]([OH:13])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:14][C@@H:15]1[CH2:24][CH2:23][C:22]2[C:17](=[C:18]([N:25]3[CH2:30][CH2:29][N:28]([CH3:31])[CH2:27][CH2:26]3)[CH:19]=[CH:20][CH:21]=2)[CH2:16]1.C(N(CC)CC)C>S(Cl)(Cl)=O.C(Cl)Cl>[CH3:31][N:28]1[CH2:29][CH2:30][N:25]([C:18]2[CH:19... | 1 |
C[SiH](Cl)C.C(C)(=O)N1N=C(CC1(C=C)C1=CC=CC=C1)C1=C(C=CC(=C1)F)F>C1(=CC=CC=C1)C.O.Cl.Cl.Cl[Pt](Cl)(Cl)Cl>C(C)(=O)N1N=C(CC1(C1=CC=CC=C1)CC[Si](O)(C)C)C1=C(C=CC(=C1)F)F | 3 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:11]([N:13]3[CH2:18][CH2:17][CH:16]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=4[C:25]([F:28])([F:27])[F:26])[CH2:15][CH2:14]3)=[O:12])=[CH:7][NH:8]2)=[CH:4][CH:3]=1.Cl[CH2:30][C:31]([N:33]([CH3:35])[CH3:34])=[O:32]>>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]([C:11]([N:13]3[CH2:14][C... | 1 |
BrCCCC=C>C1CCCO1.C(C)(=O)OCC.[Mg]>CC(C)(CCCC=C)O | 3 |
C(C)(C)(C)OC(N(CC1=C(C=CC=C1)OC)CCC1=CN(C2=CC=CC(=C12)O)C)=O>ClCCl.CCO[H].Cl>Cl.COC1=C(CNCCC2=CN(C=3C=CC=C(C23)O)C)C=CC=C1 | 3 |
[OH:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[CH:7]([O:11][CH3:12])[CH:6]([CH2:13][C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:5]2.[CH2:19]([O:26][C:27]1[CH:34]=[CH:33][C:30]([CH2:31]Cl)=[CH:29][CH:28]=1)[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25].C(=O)([O-])[O-].[K+].[K+].O>CN(C)C=O.C(OCC)(=O)C>[CH2:19]([O:26][C... | 1 |
C(C)OC(=O)C1=CN(C2=NC(=C(C=C2C1=O)CC1=C(C(=CC=C1)Cl)F)N)[C@@H](C(C)(C)C)C(O[SiH2]C(C)(C)C)(C)C>>C(C)OC(=O)C1=CN(C2=NC(=C(C=C2C1=O)CC1=C(C(=CC=C1)Cl)F)Br)[C@@H](C(C)(C)C)C(O[SiH2]C(C)(C)C)(C)C | 5 |
C1(=CC=CC=C1)C1=CC=NN1C=1C=C(C#N)C=CN1>O.CCO[H].[OH-].[Na+]>C1(=CC=CC=C1)C1=CC=NN1C=1C=C(C(=O)O)C=CN1 | 3 |
C(C1=CC=CC=C1)(=O)N=C=S.N[C@@]1([C@@H](C[C@@H](C1)OC1CC1)CO)C1=C(C=CC(=C1)Br)F>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>BrC=1C=CC(=C(C1)[C@@]12N=C(SC[C@@H]1C[C@@H](C2)OC2CC2)NC(C2=CC=CC=C2)=O)F | 3 |
ClC(=O)OCC1=CC=CC=C1.NC(CC(C)C)C(=O)O>[OH-].[Na+]>C(C1=CC=CC=C1)OC(=O)NC(C(=O)O)CC(C)C | 3 |
NCC1CCNCC1.CC1(C(=O)OC(C1)=O)C.C(C)(C)(C)OC(=O)NC(N(CCCCN)C(=O)OC(C)(C)C)=N.FC1=C(C(=C(C(=C1OC([C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)CC1=CC=CC=C1)=O)F)F)F)F>C1CCCO1.CCN(CC)CC.CCCCCC.CCCC(C)C.CCC(C)CC>N(C(=N)N)CCCCNC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)CC(C(=O)O)(C)C | 3 |
[CH3:1][N:2]1[C:7]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[CH:6][C:5](=[O:14])[N:4]([CH3:15])[C:3]1=[O:16].Br[CH2:18][CH2:19][CH2:20][OH:21].C(N(CC)CC)C.CCOCC>C(O)C>[CH3:1][N:2]1[C:7]([N:8]2[CH2:13][CH2:12][N:11]([CH2:18][CH2:19][CH2:20][OH:21])[CH2:10][CH2:9]2)=[CH:6][C:5](=[O:14])[N:4]([CH3:15])[C:3]1=[O:16] | 1 |
N1(C2C=CC([C:13]3[NH:21][C:16]4=NC=CN=[C:15]4[C:14]=3[CH2:22][CH2:23][C:24]([NH:26]C)=O)=CC=2)CCOCC1.[C:28]1([Mg]Br)[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1.O>O1CCCC1>[C:28]1([C:22]2[CH:23]=[CH:24][N:26]=[C:13]3[NH:21][CH:16]=[CH:15][C:14]=23)[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1 | 1 |
ClC1C=CC=C(Cl)C=1C(Cl)=O.[Cl:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([Cl:19])[C:14]=1[C:20]([N:22]=[C:23]=[S:24])=[O:21].[CH3:25][O:26][C:27]1[CH:28]=[C:29]2[C:34](=[CH:35][C:36]=1[O:37][CH3:38])[N:33]=[CH:32][CH:31]=[C:30]2[O:39][C:40]1[CH:46]=[CH:45][C:43]([NH2:44])=[C:42]([F:47])[CH:41]=1.C1(C)C=CC=CC=1>C(O)C>[Cl:12... | 1 |
C(C)N1C(C2=CC=C(C=C2C=C1)C=1N=NN(C1C)C=1C(=NC=CC1)F)=O>CCO[H].[HH].[Pd]>C(C)N1C(C2=CC=C(C=C2CC1)C=1N=NN(C1C)C=1C(=NC=CC1)F)=O | 3 |
[Cl:1][C:2]1([N:8]=[O:9])[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.C1CCC=CC=1>C(O)C.C(Cl)(Cl)(Cl)Cl>[ClH:1].[CH:5]12[CH2:6][CH2:7][CH:2]([CH:3]=[CH:4]1)[NH:8][O:9]2 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2([CH2:28][CH2:29]CS([O-])(=O)=O)[CH2:13][CH2:12][N:11]([C:14](=[O:27])[C:15]3[CH:20]=[C:19]([O:21][CH3:22])[C:18]([O:23][CH3:24])=[C:17]([O:25][CH3:26])[CH:16]=3)[CH2:10]2)[CH:5]=[CH:6][C:7]=1[Cl:8].[F:35][C:36]1[CH:41]=[CH:40][C:39]([N:42]2[C:46]3([CH2:51][CH2:50][NH:49][CH2:48][CH2:47]3... | 1 |
BrC=1C=C(C(=NC1)N)C(=COC)C1CCCC1>O1CCOCC1.Cl(=O)(=O)(=O)O>BrC=1C=C2C(=NC1)NC=C2C2CCCC2 | 3 |
[C:1]([O:4][C@H:5]1[C@H:10]([O:11][C:12](=[O:14])[CH3:13])[C@@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@H:8]([C:19]2[CH:24]=[CH:23][C:22]([Cl:25])=[C:21]([CH2:26][C:27]3[CH:32]=[CH:31][C:30]([OH:33])=[CH:29][CH:28]=3)[CH:20]=2)[O:7][C@@H:6]1[CH2:34][O:35][C:36](=[O:38])[CH3:37])(=[O:3])[CH3:2].[N+:39]([O-])([OH:41])=[O:40]... | 1 |
CC=1OC(=CC1C(CCCC)O)C1=CC=CC=C1>C1(=CC=CC=C1)C.ClS(Cl)=O>ClC(CCCC)C1=C(OC(=C1)C1=CC=CC=C1)C | 3 |
C=1C=CC(=CC1)[C@@H](C(=O)O)N>C1CCCO1.[Na+].[BH4-].II>C1=CC=C(C=C1)[C@@H](CO)N | 3 |
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