smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(#N)C=1C=C(NC1)C(C)=NNC(=O)N>>C(=O)C=1C(=NNC1)C1=CC(=CN1)C#N | 5 |
CN.BrC1=CC=C(C=C1)CCC(=O)O>N(C)(C)C=O.O.C1CCCO1.ClCCl.C(C(=O)Cl)(=O)Cl>BrC1=CC=C(C=C1)CCC(=O)NC | 3 |
BrC1=CC=C(C=C1)CC(O)C=1N(C=C(N1)CC(CC)(C)C)S(=O)(=O)N(C)C>>BrC1=CC=C(C=C1)CC(F)C=1N(C=C(N1)CC(CC)(C)C)S(=O)(=O)N(C)C | 5 |
[N+](=O)([O-])C=1C=C(C(=O)[O-])C=CC1COCCC>>[N+](=O)([O-])C=1C=C(C(=O)O)C=CC1OCCC | 5 |
BrC=1N(C(=CN1)C(=O)OC)C.COC1=CC=C(CN(S(=O)(=O)C2=CC=C(C=C2)CC=2C(=NNC2)C2=CC=CC=C2)CC2=CC=C(C=C2)OC)C=C1.[K].P(O)(O)(O)=O>[Cu]I.C1(=CC=CC=C1)C.CN[C@@H]1[C@H](CCCC1)NC>COC1=CC=C(CN(S(=O)(=O)C2=CC=C(CC=3C(=NN(C3)C=3N(C(=CN3)C(=O)OC)C)C3=CC=CC=C3)C=C2)CC2=CC=C(C=C2)OC)C=C1 | 3 |
CI.C(=O)NCC(=O)C=1N=CN2C1SC=C2>N(C)(C)C=O.ClCCl.[H-].[Na+]>C(=O)NC(C(=O)C=1N=CN2C1SC=C2)C | 3 |
[O:1]1[CH2:11][CH:2]1[CH2:3][C:4]12O[CH:5]1[CH:6]=[CH:7][CH:8]=[CH:9]2.[CH2:12]([CH2:14][NH2:15])[OH:13]>O>[OH:13][CH2:12][CH2:14][NH:15][CH2:11][CH:2]([OH:1])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
ClC1=NC=CC(=N1)Cl.OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)C)C=2OC=CC2)C=CC=C1>[OH-].[Na+].CC(=O)C>ClC1=NC=CC(=N1)OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)C)C=2OC=CC2)C=CC=C1 | 3 |
[CH3:1][Si:2]([CH3:12])([CH3:11])[C:3]1[CH:10]=[CH:9][C:6]([CH:7]=O)=[CH:5][CH:4]=1.[Cl:13][C:14]1[CH:15]=[C:16]([CH2:21][CH2:22][NH2:23])[CH:17]=[CH:18][C:19]=1[Cl:20].[BH4-].[Na+].O>CO>[Cl:13][C:14]1[CH:15]=[C:16]([CH2:21][CH2:22][NH:23][CH2:7][C:6]2[CH:9]=[CH:10][C:3]([Si:2]([CH3:12])([CH3:11])[CH3:1])=[CH:4][CH:5]=... | 1 |
C(C)(C)(C)OC(N(C1=C(C=C(C=C1C)C)C)CC=C(C)C)=O>CO[H].ClCCl.CSC.O=[O+][O-].C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(N(C1=C(C=C(C=C1C)C)C)CC=O)=O | 3 |
C1COCCN1.COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)O)C1)C1=CC=CC=C1)C)=O>>COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)N2CCOCC2)C1)C1=CC=CC=C1)C)=O | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:28]#[N:29])=[C:6]([C:8]2[C:13]([O:14][CH3:15])=[CH:12][N:11]([CH:16]([CH2:20][CH:21]3[CH2:26][O:25][CH2:24][CH2:23][O:22]3)[C:17](O)=[O:18])[C:10](=[O:27])[CH:9]=2)[CH:7]=1.[NH2:30][C:31]1[CH:43]=[CH:42][C:34]([C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])=[CH:33][CH:32]=1>>[... | 1 |
C(C)OC(=O)C1=NC=2N(C(=C1)Cl)N=CC2>CCO[H].[HH].[Pd].C(C)(=O)[O-].[Na+].ClC=1C(C(=C(C(C1Cl)=O)C#N)C#N)=O>C(C)OC(=O)C1=NC=2N(C=C1)N=CC2 | 3 |
[C:1]([C:3]1[N:4]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[C:5]2[C:10]([CH:11]=1)=[CH:9][C:8]([CH3:12])=[C:7]([O:13][CH3:14])[CH:6]=2)#[N:2].[Br:22]N1C(=O)CCC1=O.CC(N=NC(C#N)(C)C)(C#N)C>C(Cl)(Cl)(Cl)Cl>[Br:22][CH2:12][C:8]1[CH:9]=[C:10]2[C:5](=[CH:6][C:7]=1[O:13][CH3:14])[N:4]([C:15]([O:17][C:18]([CH3:2... | 1 |
[C:1]([N:4]1[C:12]2[C:11]([Cl:13])=[CH:10][CH:9]=[C:8]3[C:14](=[O:22])[CH:15]([NH:17][C:18](=[O:21])[CH2:19][Cl:20])[CH2:16][C:6]([C:7]=23)=[CH:5]1)(=[O:3])[CH3:2].[BH4-].[Na+]>C(O)C>[C:1]([N:4]1[C:12]2[C:11]([Cl:13])=[CH:10][CH:9]=[C:8]3[C@@H:14]([OH:22])[C@H:15]([NH:17][C:18](=[O:21])[CH2:19][Cl:20])[CH2:16][C:6]([C:... | 1 |
ClC(=O)OCC1=CC=CC=C1.N1C(COCC1)C(=O)O>>C(C1=CC=CC=C1)OC(=O)N1C(COCC1)C(=O)O | 5 |
[CH3:1][O:2][C:3](=[O:37])[CH2:4][N:5]([C:11]1[CH:16]=[C:15]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH3:35])[CH:14]=[C:13]([OH:36])[CH:12]=1)[CH2:6][C:7]([O:9][CH3:10])=[O:8].Cl[CH2:39][CH2:40][CH2:41][CH2:42][C:43]1... | 1 |
Cl[C:2]1[C:3]2[NH:10][CH:9]=[CH:8][C:4]=2[N:5]=[CH:6][N:7]=1.[CH2:11]([O:18][C:19]1[CH:25]=[CH:24][C:22]([NH2:23])=[CH:21][C:20]=1[Cl:26])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.CN1CCCC1=O>CO>[CH2:11]([O:18][C:19]1[CH:25]=[CH:24][C:22]([NH:23][C:2]2[C:3]3[NH:10][CH:9]=[CH:8][C:4]=3[N:5]=[CH:6][N:7]=2)=[CH:21][C:... | 1 |
[Si:1]([O:8][C@H:9]1[CH2:18][C:17]2([CH2:20][CH2:19]2)[CH2:16][C:15]2[N:14]=[C:13]([CH:21]3[CH2:25][CH2:24][CH2:23][CH2:22]3)[C:12]([C:26]([C:28]3[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=3)=[O:27])=[C:11]([CH:38]3[CH2:43][CH2:42][CH2:41][CH2:40][CH2:39]3)[C:10]1=2)([C:4]([CH3:7])([CH3:6])[CH3:... | 2 |
N#CBr.FC1=C(C=CC(=C1)S(=O)(=O)C)N[C@@H]1C(N(CC1)C1CCNCC1)=O>CC#N.[OH-].[Na+].C([O-])([O-])=O.[K+].[K+]>FC1=C(C=CC(=C1)S(=O)(=O)C)N[C@@H]1C(N(CC1)C1CCN(CC1)C#N)=O | 3 |
[Na+].[CH:2]1([C:8]2[CH:13]=[CH:12][C:11]([S:14]([O-:17])(=O)=[O:15])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1.P(Cl)(Cl)(Cl)(Cl)[Cl:19]>>[CH:2]1([C:8]2[CH:13]=[CH:12][C:11]([S:14]([Cl:19])(=[O:17])=[O:15])=[CH:10][CH:9]=2)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3]1 | 1 |
CC1(OB(OC1(C)C)C(CO)=C)C.ClC1=NC=C(C=C1C1=C(C=CC=C1F)F)C>O.C([O-])([O-])=O.[K+].[K+].COCCOC.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)F)C=1C(=NC=C(C1)C)C(CO)=C | 3 |
[C:1]([CH:6]1[C:11](=[O:12])[CH2:10][CH:9]([CH2:13][CH2:14][CH:15]2[O:20][CH2:19][CH2:18][CH2:17][O:16]2)[CH2:8][C:7]1=[O:21])(=O)[CH2:2][CH2:3][CH3:4].[Cl-].[CH2:23]([O:26][NH3+:27])[CH:24]=[CH2:25]>C(O)C.C([O-])(=O)C.[Na+]>[CH2:23]([O:26][NH:27][C:1](=[C:6]1[C:11](=[O:12])[CH2:10][CH:9]([CH2:13][CH2:14][CH:15]2[O:20]... | 1 |
NC=1C2=C(N=CN1)N(C=C2Br)[C@H]2C[C@@H]([C@H](O2)C=O)O[Si](C)(C)C(C)(C)C>[Na+].[BH4-].[OH-].[Na+].O1CCOCC1.C(C)(=O)O.C=O>NC=1C2=C(N=CN1)N(C=C2Br)[C@H]2C[C@@H](C(C2)(CO)CO)O[Si](C)(C)C(C)(C)C | 3 |
C([O:4][C:5]1[C:10]([O:11][CH3:12])=[CH:9][C:8]([C:13]2[N:14]=[C:15]([CH2:18][N:19]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH3:20])[S:16][CH:17]=2)=[CH:7][C:6]=1[O:28][CH3:29])(=O)C.[OH-].[Na+]>CO>[OH:4][C:5]1[C:10]([O:11][CH3:12])=[CH:9][C:8]([C:13]2[N:14]=[C:15]([CH2:18][N:19]([CH3:20])[C:21](=[O:22... | 2 |
Br[CH:2]1[C:15]2[C:10](=[C:11]([OH:16])[CH:12]=[CH:13][CH:14]=2)[C:9](=[O:17])[C:8]2[C:7]([OH:18])=[CH:6][CH:5]=[CH:4][C:3]1=2.[SH:19][CH2:20][CH2:21][C:22]([OH:24])=[O:23]>ClCCl>[C:22]([CH2:21][CH2:20][S:19][CH:2]1[C:15]2[C:10](=[C:11]([OH:16])[CH:12]=[CH:13][CH:14]=2)[C:9](=[O:17])[C:8]2[C:7]([OH:18])=[CH:6][CH:5]=[C... | 1 |
OCC=1C=CC(=NC1)N[C@H]1CN(CCC1)C(=O)OC(C)(C)C>O1CCOCC1.[O-2].[O-2].[Mn+4].C(=O)(OCC)C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C(C)OC(/C=C/C=1C=CC(=NC1)N[C@H]1CN(CCC1)C(=O)OC(C)(C)C)=O | 3 |
[CH2:1]([CH2:11][C:12](=[O:14])[CH3:13])/[CH:2]=[C:3](/[CH2:5][CH2:6][CH:7]=[C:8]([CH3:10])[CH3:9])\[CH3:4].[CH3:15][C@@H:16]([CH2:23][CH2:24][CH2:25][CH:26]([CH3:28])[CH3:27])[CH2:17][CH2:18][CH2:19][C:20](=[O:22])[CH3:21]>>[CH3:4][C@@H:3]([CH2:5][CH2:6][CH2:7][CH:8]([CH3:10])[CH3:9])[CH2:2][CH2:1][CH2:11][C:12](=[O:1... | 1 |
C(=O)(OC(C)(C)C)NCCS.IC1=CN=C(C=C1C(=O)OC)OC>>C(C)(C)(C)OC(=O)NCCSC1=CN=C(C=C1C(=O)OC)OC | 5 |
C1(C)C=CC(S(O)(=O)=O)=CC=1.[NH:12]1[C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH2:14][CH:13]1[C:21]([O:23][CH2:24][C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1)=[O:22].C(N(CC)CC)C.[C:38]([O:42][C:43]([NH:45][C@H:46]([C:48](O)=[O:49])[CH3:47])=[O:44])([CH3:41])([CH3:40])[CH3:39]>C(OCC)(=O)C>[C:38]([O:42][C:43]([NH... | 1 |
C(C1C=C(C)C(S([N:14]2[CH2:18][CH2:17][CH:16]([F:19])[CH2:15]2)=O)=C(C)C=1)(C)(C)C.[F:21][C:22]([F:27])([F:26])[C:23]([OH:25])=[O:24]>CO>[F:21][C:22]([F:27])([F:26])[C:23]([OH:25])=[O:24].[F:19][CH:16]1[CH2:17][CH2:18][NH:14][CH2:15]1 | 2 |
CP(C)=O.C(C)C1=NC2=C(C=C(C(=C2C=C1)I)N)F>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.O1CCOCC1.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.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>NC=1C(=C2C=CC(=NC2=C(C1)F)CC)P(C)(C)=O | 3 |
ClC=1C=C(N)C=CC1C.FC(C1=CC2=C(SC(=C2)C(=O)O)C=C1)(F)F>>ClC=1C=C(C=CC1C)NC(=O)C1=CC2=C(S1)C=CC(=C2)C(F)(F)F | 5 |
FC1=NC=C(C(=O)O)C=C1.Cl.C=1(N=CN2C1C=CC=C2)CN>C([O-])([O-])=O.[K+].[K+].CS(=O)C>C=1(N=CN2C1C=CC=C2)CNC2=CC=C(C=N2)C(=O)O | 3 |
ClCC(=O)OC(CCl)=O>S(O)(O)(=O)=O.ClCCl.C=O>ClCC(=O)OCOC(CCl)=O | 3 |
[C:1]([O:4][CH2:5][CH:6]([OH:27])[CH2:7][CH:8]([OH:26])[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH:19]=[CH:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])(=[O:3])[CH3:2].C(OCC(O)CC(O)CCCCCCCCCCCC#C)(=O)C.C(OCC(O)CC(=O)CCCCCCCC=CCCCCC)(=O)C.C(OCC(O)CC(O)CCCCCCCCCCCC=C)(=O)C.C(OCC(O)CC(... | 2 |
ClC=1C(=C2C(=NC1)N(C=C2C(=O)O)S(=O)(=O)C2=CC=C(C)C=C2)C=O.N[C@@H](C(=O)NC1CCCC1)CC#N>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC=1C(=C2C(=NC1)N(C=C2C(=O)O)S(=O)(=O)C2=CC=C(C)C=C2)CN[C@@H](C(=O)NC2CCCC2)CC#N | 3 |
[H-].[Na+].[CH:3]1([CH2:9][N:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][C:17]=3[OH:19])[C:12]([C:20]([N:22]3[CH2:27][CH2:26][N:25]([CH2:28][CH3:29])[CH2:24][CH2:23]3)=[O:21])=[CH:11]2)[CH2:8][CH2:7][CH2:6][CH2:5][CH2:4]1.Br[CH2:31][CH2:32][F:33]>CN(C)C=O>[CH:3]1([CH2:9][N:10]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][C:17]=... | 1 |
CC=1C=C(CBr)C=CC1.NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC(C)C)COCC)O>>C(C)OCC=1N(C2=C(C(=NC=3C=C(C=CC23)OCC2=CC(=CC=C2)C)N)N1)CC(C)C | 5 |
[CH3:1][N:2]1[C:6]([C:7]#[C:8][C:9]2[N:14]=[CH:13][N:12]=[C:11]([NH2:15])[C:10]=2[NH2:16])=[C:5]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[N:4]=[CH:3]1.C(Cl)Cl.CO>CN(C=O)C.[Cu]I>[CH3:1][N:2]1[C:6]([C:7]2[NH:16][C:10]3[C:11]([NH2:15])=[N:12][CH:13]=[N:14][C:9]=3[CH:8]=2)=[C:5]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19]... | 1 |
C(C(C)(C)C)(=O)OC[C@H](C=1C(=C2C=CC(=NC2=CC1C)OS(=O)(=O)C(F)(F)F)C1=CC=C(C=C1)Cl)OC(C)(C)C>N(C)(C)C=O.[N-]=[N+]=[N-].[Na+]>C(C(C)(C)C)(=O)OC[C@H](C=1C(=C2C=CC=3N(C2=CC1C)N=NN3)C3=CC=C(C=C3)Cl)OC(C)(C)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:32]=[CH:33][C:34]=1[O:35][CH3:36])[CH2:6][CH:7]1[C:13]2[CH:14]=[C:15]([O:20][CH3:21])[C:16]([O:18][CH3:19])=[CH:17][C:12]=2[CH2:11][CH2:10][CH2:9][N:8]1[CH:22]([C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)[C:23](O)=[O:24].[NH2:37][CH2:38][CH2:39][CH:40]([CH3:42])[CH3:41]>>[CH3:1][O:... | 1 |
[Br:1]Br.[CH2:3]([C:7]1[S:8][CH:9]=[CH:10][CH:11]=1)[CH2:4][CH2:5][CH3:6]>C(Cl)(Cl)Cl>[Br:1][C:9]1[S:8][C:7]([CH2:3][CH2:4][CH2:5][CH3:6])=[CH:11][CH:10]=1 | 1 |
[CH2:1]([C@H:4]1[CH2:9][CH2:8][C@H:7]([CH:10]=[CH2:11])[CH2:6][CH2:5]1)[CH2:2][CH3:3].[Cl:12][C:13]([Cl:18])(Cl)[C:14](Cl)=[O:15]>C(OCC)C>[CH2:1]([C@H:4]1[CH2:5][CH2:6][C@H:7]([CH:10]2[CH2:11][C:14](=[O:15])[C:13]2([Cl:18])[Cl:12])[CH2:8][CH2:9]1)[CH2:2][CH3:3] | 1 |
[C-:1]1([CH:6]=O)[CH:5]=[CH:4][CH:3]=[CH:2]1.[CH-:8]1[CH:12]=[CH:11][CH:10]=[CH:9]1.[Fe+2:13].[NH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][OH:21].[C:22](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C1COCC1.C(OCC)(=O)C>[C-:8]1([CH2:22][N:14]([CH2:6][C-:1]2[CH:2]=[CH:3][CH:4]=[CH:5]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH... | 2 |
O=[C:2]1[C:11]2[CH:10]=[N:9][CH:8]=[CH:7][C:6]=2[CH2:5][CH2:4][CH2:3]1.Cl.[NH2:13][OH:14]>N1C=CC=CC=1>[OH:14][N:13]=[C:2]1[C:11]2[CH:10]=[N:9][CH:8]=[CH:7][C:6]=2[CH2:5][CH2:4][CH2:3]1 | 1 |
C(CCCCCCCCC)Br.OC=1C=C(C(=O)OC)C=C(C1)O>C([O-])([O-])=O.[K+].[K+]>COC(C1=CC(=CC(=C1)OCCCCCCCCCC)OCCCCCCCCCC)=O | 3 |
FC(C1=C2C=CC(=CC2=CC=C1O[C@@H]1CC[C@@H](CC1)C(F)(F)F)C(=O)OC)(F)F>>FC(C1=C2C=CC(=CC2=CC=C1O[C@@H]1CC[C@@H](CC1)C(F)(F)F)C(=O)O)(F)F | 5 |
C(C1=CC=CC=C1)OC1=NC(=CC(=C1CO)C)C>O.ClCCl.ClS(Cl)=O.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)OC1=NC(=CC(=C1CCl)C)C | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]([CH2:14][CH:15]2[CH2:17][CH2:16]2)[CH2:10][C:11]([OH:13])=O)=[CH:5][C:4]=1[C:18]([F:21])([F:20])[F:19])#[N:2].[CH2:22]([NH2:29])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]([CH2:14][CH:15]2[CH2:17][CH2:16]2)[CH2:10][C:11]([NH:29][CH2:22][C:23]... | 1 |
[I:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[C:4]([CH3:9])[CH:3]=1.[CH2:10](Br)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH2:10]([O:8][C:5]1[CH:6]=[CH:7][C:2]([I:1])=[CH:3][C:4]=1[CH3:9])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 1 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH3:7][C:8]1[N:18]=[CH:17][CH:16]=[CH:15][C:9]=1[C:10](OCC)=[O:11].O.[OH-].[Na+]>O1CCCC1>[OH:11][CH2:10][C:9]1[C:8]([CH3:7])=[N:18][CH:17]=[CH:16][CH:15]=1 | 1 |
C(C)(=O)NC=1SC(=C(N1)C)C1=CC=C(S1)S(=O)(=O)Cl>ClCCl.C(C)(C)N(C(C)C)CC.C(O)CN>OCCNS(=O)(=O)C1=CC=C(S1)C1=C(N=C(S1)NC(C)=O)C | 3 |
CS(=O)(=O)Cl.FC1=CC=C(C=C1)[C@@H](CN1C(CCC1)C)O>>FC1=CC=C(C=C1)[C@@H](CN1C(CCC1)C)N | 5 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][C:10]=2[Cl:12])[CH:5]=[C:4]([C@@H:13]([NH:15][C:16](=[O:32])[O:17][CH2:18][CH:19]2[C:31]3[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=3[C:25]3[C:20]2=[CH:21][CH:22]=[CH:23][CH:24]=3)[CH3:14])[N:3]=1.[CH2:33]([Sn](CCCC)(CCCC)C=C)[CH2:34]CC.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>C1COCC1.... | 1 |
[CH3:1][C:2]([O:5][C:6]([NH:8][C@@H:9]([CH2:13][CH3:14])[C:10]([OH:12])=O)=[O:7])([CH3:4])[CH3:3].C(N1C=CN=C1)(N1C=CN=C1)=O.Cl.[CH3:28][NH:29][O:30][CH3:31].CCN(C(C)C)C(C)C>C1COCC1.CN(C=O)C>[CH3:28][N:29]([O:30][CH3:31])[C:10]([C@@H:9]([NH:8][C:6](=[O:7])[O:5][C:2]([CH3:1])([CH3:3])[CH3:4])[CH2:13][CH3:14])=[O:12] | 1 |
C(C)(C)(C)C1=CC=C(C=C1)B(O)O.BrC1=CC=C2C=CC3=C(C=CC4=CC=C1C2=C34)Br>N(C)(C)C=O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>BrC1=CC=C2C=CC3=C(C=CC4=CC=C1C2=C34)C3=CC=C(C=C3)C(C)(C)C | 3 |
C1=CC=C(C=C1)[C@@H](CO)N.ClC=1C=CC(=C(C1)C(C(=O)O)(C)C=1C=C2CCC(OC2=CC1)(C)C)[N+](=O)[O-]>N(C)(C)C=O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>ClC=1C=CC(=C(C1)C(C(=O)NC(CO)C1=CC=CC=C1)(C)C=1C=C2CCC(OC2=CC1)(C)C)[N+](=O)[O-] | 3 |
[Cl:1][C:2]1[CH:3]=[C:4](Br)[CH:5]=[C:6]([F:9])[C:7]=1[Cl:8].[Mg].[C:12]([O:16][C:17]([N:19]1[CH2:23][CH2:22][CH2:21][C:20]1([CH:27]=[O:28])[CH2:24][CH2:25][CH3:26])=[O:18])([CH3:15])([CH3:14])[CH3:13]>C1COCC1>[C:12]([O:16][C:17]([N:19]1[CH2:23][CH2:22][CH2:21][C:20]1([CH:27]([C:4]1[CH:5]=[C:6]([F:9])[C:7]([Cl:8])=[C:2... | 1 |
BrCC#N.OC1(C(CCC1)NS(=O)(=O)C(C)C)C1=CC=C(C=C1)O>>OC1(C(CCC1)NS(=O)(=O)C(C)C)C1=CC=C(OCC#N)C=C1 | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C@H:11]([C:12]3[CH:17]=[CH:16][C:15](B4OC(C)(C)C(C)(C)O4)=[CH:14][CH:13]=3)[C@@H:10]([CH2:27][CH2:28][C@@H:29]([C:31]3[CH:36]=[CH:35][C:34]([F:37])=[CH:33][CH:32]=3)[OH:30])[C:9]2=[O:38])=[CH:4][CH:3]=1.Br[C:40]1[CH:41]=[C:42]([O:46][CH2:47][C@H:48]2[O:54][C@@H:52]([OH:53])[C@H:51](... | 2 |
C1(=CC=CC=C1)COC=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)NCCCCC=1C=NC=CC1>CCO[H].[HH].[Pd]>OC=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)NCCCCC=1C=NC=CC1 | 3 |
[OH:1][C:2]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].Br[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19].C(#N)C>O>[OH:1][C:2]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][C:3]=1[C:4]([O:6][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])=[O:5] | 1 |
Cl[C:2]1[CH:7]=[C:6]([CH3:8])[N:5]=[CH:4][N:3]=1.[F:9][C:10]1[CH:11]=[C:12]([C:17]2[C:18]3[N:19]([N:23]=[C:24]([NH:26][CH:27]4[CH2:32][CH2:31][NH:30][CH:29]([CH3:33])[CH2:28]4)[N:25]=3)[CH:20]=[CH:21][CH:22]=2)[CH:13]=[CH:14][C:15]=1[F:16]>>[F:9][C:10]1[CH:11]=[C:12]([C:17]2[C:18]3[N:19]([N:23]=[C:24]([NH:26][CH:27]4[C... | 1 |
[C:1]1(=O)[NH:5][C:4](=[O:6])[C:3]2=[CH:7][CH:8]=[CH:9][CH:10]=[C:2]12.Cl>CC(O)=O>[C:4]1(=[O:6])[C:3]2[C:2](=[CH:10][CH:9]=[CH:8][CH:7]=2)[CH2:1][NH:5]1 | 1 |
NC1=NC(=NC2=CC(=C(C=C12)OC1=C(C=CC=C1C)C)F)N1N=CC(=C1)C(=O)OCC>>NC1=NC(=NC2=CC(=C(C=C12)OC1=C(C=CC=C1C)C)F)N1N=CC(=C1)C(=O)O | 5 |
C(C)OC(=O)C=1C(=NC2=CC=CC=C2C1O)C(F)(F)F>ClCCl.[OH-].[Na+]>OC1=C(C(=NC2=CC=CC=C12)C(F)(F)F)C(=O)O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:30]2[CH2:31][CH2:32][C:33](=[O:36])[NH:34][N:35]=2)[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][C:10]([N:12]1[CH2:17][CH2:16][CH:15]([NH:18][CH2:19][C@H:20]([OH:29])[CH2:21][O:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH2:14][CH2:13]1)=[O:11].[CH2:37]([C:40]1C=CC=CC=1O)[CH:38]=C>>[CH2:40]([C:28... | 2 |
[Br:1][C:2]1[CH:26]=[CH:25][C:5]2[N:6]=[C:7]([NH:15][C:16]3[C:21]([F:22])=[CH:20][C:19]([F:23])=[CH:18][C:17]=3[F:24])[C:8]3[C:13]([C:4]=2[CH:3]=1)=[C:12](Cl)[N:11]=[CH:10][CH:9]=3.Cl.C([O-])(O)=[O:29].[Na+]>C1COCC1>[Br:1][C:2]1[CH:26]=[CH:25][C:5]2[N:6]=[C:7]([NH:15][C:16]3[C:21]([F:22])=[CH:20][C:19]([F:23])=[CH:18][... | 1 |
[CH2:1]([C@H:5]1[C:17]2[NH:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[C:9]=2[CH2:8][C@H:7]([C:18]([O:20]C)=[O:19])[NH:6]1)[CH2:2][CH2:3][CH3:4].[OH-].[Na+]>CO>[CH2:1]([C@H:5]1[C:17]2[NH:16][C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[C:9]=2[CH2:8][C@H:7]([C:18]([OH:20])=[O:19])[NH:6]1)[CH2:2][CH2:3][CH3:4] | 1 |
[NH2:1][C:2]([C@@H]1[C@H](C2SC=CN=2)N[C@](CC(C)C)(C(OC(C)(C)C)=O)C1)=O.BrC1C=C(C=CC=1C(C)(C)C)C(Cl)=O.NC([C@@H]1[C@H](C2SC=CN=2)N(C(=O)C2C=CC(C(C)(C)C)=CC=2)[C@](CC(C)C)(C(OC(C)(C)C)=O)C1)=O.C([O:79][C:80]([C@:82]1([CH2:108][CH:109]([CH3:111])[CH3:110])[CH2:86][C@H:85]([C:87]([NH2:89])=[O:88])[C@H:84]([C:90]2[S:91][CH:... | 2 |
COC(=O)C=1C=CC(=NC1)C(=O)O.FC=1C=C(C=CC1OC(F)(F)F)[C@@]1(COC=2C1=NC=CC2)N[S@](=O)C(C)(C)C>>FC=1C=C(C=CC1OC(F)(F)F)[C@@]1(COC=2C1=NC=CC2)NC(=O)C2=NC=C(C(=O)OC)C=C2 | 5 |
C(=O)(OCC1C2=CC=CC=C2C2=CC=CC=C12)N1[C@H](C(=O)O)CCC1.O[C@@H](C(=O)O)CC1=CC=CC=C1>>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1[C@@H](CCC1)C(=O)O[C@@H](C(=O)O)CC1=CC=CC=C1 | 5 |
C1(CC1)C1=CC(=C(C(=O)OC)C=C1)C>>C1(CC1)C1=CC(=C(C(=O)OC)C=C1I)C | 5 |
BrC1=CC=2C=3C(CC(C3CO1)N(C)C)=CN(C2)[Si](C(C)C)(C(C)C)C(C)C>>CN(C1CC=2C=3C(C=C(OCC13)C=O)=CN(C2)[Si](C(C)C)(C(C)C)C(C)C)C | 5 |
C(C)[S-].[Na+].ClC=1C=C2C=C(C(NC2=C(C1)OC)=O)C=O>>ClC=1C=C2C=C(C(NC2=C(C1)O)=O)C=O | 5 |
CSC=1NC(=CC(N1)=O)CN1CCOCC1>P(=O)(Cl)(Cl)Cl>ClC1=CC(=NC(=N1)SC)CN1CCOCC1 | 3 |
C(C)(=O)C1=C(C2=C(N=C(N=C2)NC2=CC=C(C=N2)N2CCN(CC2)CC(=O)OC(C)(C)C)N(C1=O)C1CCCC1)C>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.C(C)(=O)C1=C(C2=C(N=C(N=C2)NC2=CC=C(C=N2)N2CCN(CC2)CC(=O)O)N(C1=O)C1CCCC1)C | 3 |
C(CC(=O)OCC)(=O)OCC.C(C1=CC=CC=C1)(=O)O.C(=O)C1=C(C(=CC=C1)C(F)(F)F)NC(OC(C)(C)C)=O>>C(C)(C)(C)OC(=O)C1=C(C=C(C(=O)OCC)C(=O)OCC)C=CC=C1C(F)(F)F | 5 |
[N+](=O)([O-])C=1C=NN(C1)C[C@@H](C)O>CO[H].[HH].[Pd]>NC=1C=NN(C1)C[C@@H](C)O | 3 |
[H-].[Na+].[CH2:3]([O:10][C@H:11]1[C@H:16]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[C@@H:15]([O:25][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C@H:14]([C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[C:35]([CH2:40][C:41]3[CH:46]=[CH:45][C:44]([CH2:47][CH3:48])=[CH:43][CH:42]=3)[CH:34]=2)[C@@H:13]... | 1 |
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=1.C([Li])CCC.CN(C)[CH:16]=[O:17].[Cl-].[NH4+]>O1CCCC1.O>[Br:8][C:4]1[N:3]=[C:2]([CH:16]=[O:17])[CH:7]=[CH:6][CH:5]=1 | 2 |
COC=1C=C(C=O)C=CC1OC.C(C)(=O)C1=CC=CC=C1>CCO[H].[OH-].[Na+]>COC=1C=C(C=CC1OC)/C=C/C(=O)C1=CC=CC=C1 | 3 |
[CH2:1]([N:3]([CH2:14][CH3:15])[C:4]1[C:12]([CH3:13])=[CH:11][C:7]([C:8]([OH:10])=O)=[CH:6][N:5]=1)[CH3:2].C1C=CC2N(O)N=NC=2C=1.CCN=C=NCCCN(C)C.Cl.[CH2:38]([C:40]1[CH:55]=[C:54]([C:56](=[NH:59])[NH:57]O)[CH:53]=[C:52]([CH3:60])[C:41]=1[O:42][CH2:43][C@@H:44]([OH:51])[CH2:45][NH:46][C:47](=[O:50])[CH2:48][OH:49])[CH3:39... | 2 |
C(C1=CC=CC=C1)N1N=C(N=C1)C(=O)O.NC1C(N(C=2N(CC1)N=C(C2)CC2C(C2)(F)F)C)=O>N(C)(C)C=O.n1nn(O)c2ccccc12.Cl.CN(CCCN=C=NCC)C>C(C1=CC=CC=C1)N1N=C(N=C1)C(=O)NC1C(N(C=2N(CC1)N=C(C2)CC2C(C2)(F)F)C)=O | 3 |
BrC=1C=C2C(C(=O)OC2=O)=CC1>>BrC=1C=C2C(N=NC(C2=CC1)=O)=O | 5 |
ClC1=CC=C(C(=N1)C)[N+](=O)[O-].Cl.Cl.C[C@@H]1N(CCC1)[C@@H]1CNCC1>>C[C@@H]1N(CCC1)[C@@H]1CN(CC1)C1=NC(=C(C=C1)[N+](=O)[O-])C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.FC(C(=O)O)(F)F.C(C)OC(=O)C=1C=NNC1N1N=C(NC1=O)C(C1=C(C(=CC(=C1)OC)OCCCO)F)NC1=CC=C(C=C1)C(N)=N>CC#N.N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(N)(=N)C1=CC=C(C=C1)NC(C1=NN(C(N1)=O)C1=C(C=NN1)C(=O)O)C1=C(C(=CC(=C1)OC)OCCCO)F | 3 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[CH2:12][CH2:11][O:10][CH2:9][CH2:8][N:7]([C:13]3[CH:18]=[C:17]([CH3:19])[C:16]4[O:20][CH2:21][O:22][C:15]=4[CH:14]=3)[C:6]=2[CH:23]=1.[CH3:24][N:25](C=O)C>O.[Zn].[C-]#N.[C-]#N.[Zn+2].[Zn](OC(C)=O)OC(C)=O.C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2].C... | 2 |
[Cl:1][C:2]1[C:3]([NH2:8])=[N:4][NH:5][C:6]=1[CH3:7].C([O-])([O-])=O.[K+].[K+].Cl[CH2:16][C:17]([N:19]1[CH2:24][CH2:23][N:22]([C:25]2[CH:30]=[CH:29][C:28]([Cl:31])=[C:27]([O:32][CH3:33])[CH:26]=2)[CH2:21][CH2:20]1)=[O:18].CN(C=O)C>CCCCCC.C(OCC)(=O)C>[NH2:8][C:3]1[C:2]([Cl:1])=[C:6]([CH3:7])[N:5]([CH2:16][C:17]([N:19]2[... | 1 |
BrC=1C=NC(=NC1)N1CC(N(CC1)C(=O)OC(C)(C)C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C>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].O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+]>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1N(CCN(C1)C1=NC=C(C=N1)B1OC(C(... | 3 |
[CH3:1][C:2]1([C:5]([OH:7])=O)[CH2:4][CH2:3]1.[CH:8]1([C:11]2[C:12]([O:21][CH2:22][C:23]([F:26])([F:25])[F:24])=[CH:13][C:14]([C:17](=[N:19]O)[NH2:18])=[N:15][CH:16]=2)[CH2:10][CH2:9]1>>[CH:8]1([C:11]2[C:12]([O:21][CH2:22][C:23]([F:26])([F:24])[F:25])=[CH:13][C:14]([C:17]3[N:19]=[C:5]([C:2]4([CH3:1])[CH2:4][CH2:3]4)[O:... | 2 |
ClC1=C2CCCNC2=CC=C1.BrC1=NN(C2=C1CN(CC2)C(C)=O)[C@@H]2COCC2>O1CCOCC1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.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.CC(C)(C)[O-].[Na+]>ClC1=C2CCCN(C2=CC=C1)C1=NN(C2=C1CN(CC2)... | 3 |
C(CCC)[Sn](C1=NC=CC=C1)(CCCC)CCCC.C1(CC1)C=1C(=CC(=C(C(=O)OC)C1)OCC)OS(=O)(=O)C(F)(F)F>N(C)(C)C=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(CC1)C=1C(=CC(=C(C(=O)OC)C1)OCC)C1=NC=CC=C1 | 3 |
[CH:1]12[N:7]([C:8](=[O:48])[C:9]([C:12]3[CH:13]=[C:14]4[C:18](=[CH:19][CH:20]=3)[NH:17][C:16]([C:21]3[CH:26]=[C:25]([CH3:27])[CH:24]=[C:23]([CH3:28])[CH:22]=3)=[C:15]4[C@H:29]([CH3:47])[CH2:30][NH:31][S:32]([C:35]3[CH:40]=[CH:39][C:38]([N+:41]([O-:43])=[O:42])=[CH:37][C:36]=3[N+:44]([O-:46])=[O:45])(=[O:34])=[O:33])([... | 1 |
COC(=O)C1=CC2=C(S1)C=C(C=C2)O>>OC=1C=CC2=C(SC(=C2)C(=O)O)C1 | 5 |
[CH2:1]([O:8][C@@H:9]1[C@@H:15]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C@H:14]([O:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[C@@H:13]([CH2:32][O:33][CH2:34][C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[O:12][CH:10]1[OH:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(C)([O-])C.[K... | 1 |
C(C)(C)OC(=O)N1CCC(CC1)O[C@H](C)C(=O)O>>C(C)(C)OC(=O)N1CCC(CC1)O[C@H](C)C(N)=O | 5 |
C(C)(=O)NO.N1(N=CC=C1)CC1=CC=C(CN2N=C3C(C(=NC=C3)NCC3=CC(=C(C#N)C=C3)F)=C2)C=C1>>N1(N=CC=C1)CC1=CC=C(CN2N=C3C(C(=NC=C3)NCC3=CC4=C(C(=NO4)N)C=C3)=C2)C=C1 | 5 |
C1(N=C=NC2CCCCC2)CCCCC1.[CH:16]([OH:19])([CH3:18])[CH3:17].[CH3:20][O:21][C:22](=[O:30])[C:23]1[CH:28]=[C:27](O)[CH:26]=[N:25][CH:24]=1.C1C=CC=CC=1>C(Cl)(Cl)Cl.Cl[Cu]>[CH:16]([O:19][C:27]1[CH:26]=[N:25][CH:24]=[C:23]([CH:28]=1)[C:22]([O:21][CH3:20])=[O:30])([CH3:18])[CH3:17] | 1 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.