smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH3:9])=[CH:5][C:4]=1[C:10](=[O:13])[CH2:11][CH3:12].[CH:14](=O)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.[OH-].[Na+].Cl>C(O)C>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH3:9])=[CH:5][C:4]=1[C:10](=[O:13])[C:11](=[CH:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)[CH3:12] | 1 |
C(C)OC(=O)N=C=S.NC1=NC=CC(=C1)CO>CO[H].CCO[H].O1CCOCC1.C(C)(C)N(C(C)C)CC.Cl.NO>NC1=NN2C(C=C(C=C2)CO)=N1 | 3 |
COC=1C=C(C=CC1)B(O)O.ClC=1N=NC(=CC1NCC1CCN(CC1)C(=O)OC(C)(C)C)Cl>O.O1CCOCC1.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]>ClC1=CC(=C(N=N1)C1=CC(=CC=C1)OC)NCC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C1(CC2C1CC=1C=CC=CC21)=NO.C1(NCC2C1CC=1C=CC=CC21)=O>>C1C2C(CN1)C=1C=CC=CC1C2 | 5 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:10]([CH2:21]OS(C)(=O)=O)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+].[NH2:33][CH2:34][C:35]([CH3:40])([CH3:39])[C:36]([NH2:38])=[O:37]>C(#N)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([CH2... | 2 |
[C:1]1([N:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8](Cl)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.Cl.[NH:19]1[CH2:24][CH2:23][NH:22][CH2:21][CH:20]1[C:25]([OH:27])=[O:26].Cl>C(#N)C.[OH-].[Na+]>[C:1]1([N:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([N:19]2[CH2:24][CH2:23][N:22]([C:8](=[O:9])[N... | 1 |
CO[C:3]1[CH:11]=[CH:10][CH:9]=[CH:8][C:4]=1[CH:5]=[N:6][OH:7].N([Cl:14])=O.CC[O:17][CH2:18]C>>[CH3:18][O:17][C:10]1[CH:11]=[CH:3][C:4]([C:5]([Cl:14])=[N:6][OH:7])=[CH:8][CH:9]=1 | 1 |
C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C>ClCCl.c1ccncc1.C(C)(=O)Cl>C(C)(=O)OC1CC2=CC=C3[C@@H]4CC[C@H]([C@@H](C=C[C@@H](C(C)C)C)C)[C@]4(CC[C@@H]3[C@]2(CC1)C)C | 3 |
FC1(CCC(CC1)/C=C/C=1C(=NC=C(C(=O)OC)C1)OC)F>O.C1CCCO1.CO[H].[OH-].[Li+]>FC1(CCC(CC1)/C=C/C=1C(=NC=C(C(=O)O)C1)OC)F | 3 |
C1(CCCC1)N=C=O.NC=1C=C(C=C(C1)OC)NC1=NC=CC(=N1)C=1C=CC(=C(C#N)C1)OC>>C(#N)C=1C=C(C=CC1OC)C1=NC(=NC=C1)NC=1C=C(C=C(C1)OC)NC(=O)NC1CCCC1 | 5 |
C(C1=CC=CC=C1)NC1=C2C(C(=CN(C2=CC(=C1F)F)C1CCOCC1)C(=O)OCC)=O>[HH].[Pd].C(C)(=O)O>NC1=C2C(C(=CN(C2=CC(=C1F)F)C1CCOCC1)C(=O)OCC)=O | 3 |
[CH3:1][C:2]([Si:5]([CH3:59])([CH3:58])[O:6][C@@H:7]([C@@H:45]([CH3:57])[CH2:46][O:47]CC1C=CC(OC)=CC=1)[C@@H:8]([CH3:44])[CH2:9][N:10]([C:12](=[O:43])[C@H:13]([CH3:42])[C@@H:14]([O:34][Si:35]([C:38]([CH3:41])([CH3:40])[CH3:39])([CH3:37])[CH3:36])[C@H:15]([CH3:33])[C@@H:16]([O:23]CC1C=CC(OC)=CC=1)[C@@H:17]([CH3:22])/[CH... | 1 |
[CH3:1][C:2]([CH3:19])([CH2:5][C:6]#[C:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][C:15]([F:18])([F:17])[F:16])=[CH:10][CH:9]=1)[CH2:3]O.C(C1C=CC=C(C(C)(C)C)N=1)(C)(C)C.FC(F)(F)S(OS(C(F)(F)F)(=O)=O)(=O)=O.[CH2:49]([O:51][C:52](=[O:68])[C:53]([O:56][C:57]1[CH:62]=[CH:61][C:60]([S:63]C(=O)C)=[CH:59][C:58]=1[CH3:67])([CH3:55])[C... | 1 |
[C:1]1([C:7]2[CH:11]=[C:10]([CH2:12][CH2:13][CH:14]=O)[O:9][N:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F:16][C:17]([F:32])([F:31])[C:18]1[CH:30]=[CH:29][CH:28]=[CH:27][C:19]=1[CH2:20][N:21]1[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]1.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl>[C:1]1([C:7]2[CH:11]=[C:10]([CH2:12][CH2:13]... | 1 |
[N:1]1([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:28]=[CH:27][C:15]([O:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]([CH3:26])([CH3:25])[C:22]([NH2:24])=O)=[CH:14][CH:13]=2)[CH:5]=[CH:4][N:3]=[CH:2]1.N1C=CC=CC=1.P(Cl)(Cl)(Cl)(Cl)Cl.C(Cl)(Cl)Cl>ClCCl>[N:1]1([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][C:12]2[CH:13]=... | 1 |
FC1=CC=C(C=C1)[C@H](C(=O)NC1=CC=C(C=C1)B(O)O)C.C(C)(C)(C)OC(=O)N[C@@H](C(C)(C)C)C(=O)OC(C(C)C)OC(N(C1=C(C=C(C=C1)S(=O)(=O)C)OC)C1=NN2C(C=CC(=C2)Cl)=N1)=O>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CN1C(CCC1)=O.COC1=C(C(=CC=C1)OC)C1=C(C=CC=C1)P(C1CCCCC1)C1CCCCC1.O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)(C)OC(=O)N[... | 3 |
CN(S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl)C.ClC=1C(=C(N)C=CC1)N1CCC(CC1)OC=1C=NC=CC1>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>ClC=1C(=C(C=CC1)NS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(C)C)N1CCC(CC1)OC=1C=NC=CC1 | 3 |
[F:1]/[C:2](=[C:5](/[C:7]1[CH:16]=[C:15]2[C:10]([C:11]([CH3:21])([CH3:20])[CH2:12][CH:13]=[C:14]2[CH:17]([CH3:19])[CH3:18])=[CH:9][C:8]=1[O:22][CH2:23][CH2:24][CH3:25])\[CH3:6])/[CH2:3][OH:4].C[N+]1([O-])CCOCC1.ClCCl>C(#N)C.[Ru]([O-])(=O)(=O)=O.C([N+](CCC)(CCC)CCC)CC>[F:1]/[C:2](=[C:5](/[C:7]1[CH:16]=[C:15]2[C:10]([C:1... | 1 |
Cl[C:2]1[C:3]2[CH:14]=[C:13]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH:12]=[CH:11][C:4]=2[N:5]([CH3:10])[C:6](=[O:9])[CH2:7][N:8]=1.C(C1C=C(B(O)O)C=CC=1)=O.[CH3:32][O:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1B(O)O>>[CH3:32][O:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=1[C:2]1[C:3]2[CH:14]=[C:13]([C:... | 1 |
C(C)(C)(C)[Si](C)(C)Cl.[N+](=O)([O-])C=1C=C(C=CC1)S(=O)(=O)N1C(COC2=C1C=CC=C2)CO>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN(CC)CC>[Si](C)(C)(C(C)(C)C)OCC1COC2=C(N1S(=O)(=O)C1=CC(=CC=C1)[N+](=O)[O-])C=CC=C2 | 3 |
[N+]([C:4]1[CH:9]=[CH:8][C:7]([P:10]([Cl:13])([Cl:12])=[O:11])=[CH:6][CH:5]=1)([O-])=O.[N+:14](C1C=C(P(=O)(O)O)C=CC=1)([O-:16])=[O:15]>>[N+:14]([C:9]1[CH:8]=[C:7]([P:10]([Cl:12])([Cl:13])=[O:11])[CH:6]=[CH:5][CH:4]=1)([O-:16])=[O:15] | 1 |
C(C)(C)(C)OP(OC(C)(C)C)N(CC)CC.C(C)NC(NC1=CC(=C(C=N1)C=1C=C2C(C(=CN(C2=CC1)[C@H](CO)C(C)(C)C)C(=O)OCC)=O)C=1SC=C(N1)C(F)(F)F)=O>>C(C)(C)(C)OP(=O)(OC(C)(C)C)OC[C@H](C(C)(C)C)N1C=C(C(C2=CC(=CC=C12)C=1C=NC(=CC1C=1SC=C(N1)C(F)(F)F)NC(=O)NCC)=O)C(=O)OCC | 5 |
[CH:1]1([C:4]2[CH:5]=[CH:6][C:7]([C:18]([NH:20][C@@H:21]([CH2:27][CH:28]([CH3:30])[CH3:29])[C:22]([O:24]CC)=[O:23])=[O:19])=[N:8][C:9]=2[CH2:10][C:11]2[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=2)[CH2:3][CH2:2]1.[OH-].[Li+]>>[CH:1]1([C:4]2[CH:5]=[CH:6][C:7]([C:18]([NH:20][C@@H:21]([CH2:27][CH:28]([CH3:30])[CH3:29])[C... | 1 |
ClC1=C(C=CC=C1)C1=NC=2N(C(N(C(C2N1C1=CC=C(C=C1)Cl)=O)COC(C(C)(C)C)=O)=O)CC1=CC=C(C(=O)OC)C=C1>O.C1CCCO1.[OH-].[Li+]>ClC1=C(C=CC=C1)C1=NC=2N(C(NC(C2N1C1=CC=C(C=C1)Cl)=O)=O)CC1=CC=C(C(=O)O)C=C1 | 3 |
FC1=CC=C(C=C1)N1CCNCC1.BrCCCCCOC1=CC(=CC=C1)[N+](=O)[O-]>CC#N.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)N1CCN(CC1)CCCCCOC1=CC(=CC=C1)[N+](=O)[O-] | 3 |
C(OC([N:8]([O:19][CH2:20][CH2:21][CH2:22][O:23][C:24]1[CH:29]=[C:28]([CH3:30])[CH:27]=[C:26]([O:31][S:32]([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][C:36]=2[S:41]([N:44]([CH2:51][CH2:52][C:53]#[N:54])[CH2:45][C:46]2[O:47][CH:48]=[CH:49][CH:50]=2)(=[O:43])=[O:42])(=[O:34])=[O:33])[CH:25]=1)[C:9]([NH:11]C(OC(C)(C)C)=O)=[NH:10... | 1 |
C[O:2][C:3]([C:5]1[CH:6]=[C:7]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[F:24])[CH:8]=[C:9]([C:11](=[O:17])[N:12]([CH3:16])[CH2:13][CH2:14][CH3:15])[CH:10]=1)=[O:4].[OH-].[Na+]>CO.C1COCC1>[F:24][C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=1[C:7]1[CH:8]=[C:9]([C:11](=[O:17])[N:12]([CH3:16])[CH2:13][CH2:14][CH3:15])[C... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][N:16]([CH3:20])[C:17]([NH2:19])=[NH:18])=[CH:11][CH:10]=2)=[CH:4][C:3]=1[C:21]([F:24])([F:23])[F:22].[C:25]([O-:28])([O-])=[O:26].[Cs+].[Cs+].[OH:31]/[CH:32]=[C:33](/[CH2:38][C:39]1[CH:40]=[N:41][CH:42]=[N:43][CH:44]=1)\[C:34](OC)=O>CN1C(=O)CCC1>[... | 1 |
NC(CO)CC.CS(=O)(=O)C1=NC=2N(C(=N1)NCC=1SC(=CC1)C)N=CC2CCC>O1CCOCC1.[F-].[K+]>CC1=CC=C(S1)CNC1=NC(=NC=2N1N=CC2CCC)N[C@@H](CO)CC | 3 |
COCCOC1=CC(=C(C=C1)CCC(=O)OCC)OCC1=CC=C(C=C1)C(F)(F)F>>COCCOC1=CC(=C(C=C1)CCCO)OCC1=CC=C(C=C1)C(F)(F)F | 5 |
C(OC([N:11]1[CH2:16][CH2:15][N:14]([C:17]([C@H:19]2[CH2:24][N:23]([CH:25]([CH3:27])[CH3:26])[CH2:22][CH2:21][N:20]2[C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])=[O:18])[CH2:13][CH2:12]1)=O)C1C=CC=CC=1>[Pd]>[CH:25]([N:23]1[CH2:22][CH2:21][N:20]([C:28]([O:30][C:31]([CH3:34])([CH3:32])[CH3:33])=[O:29])[C@@H:19]... | 1 |
BrC=1C=C2C(=C(C=NC2=CC1)Cl)NC(CO)C1=C(C=CC=C1)F>N(C)(C)C=O.C1CCCO1.CCN(CC)CC.CS(=O)(=O)Cl.CNC>BrC=1C=C2C(=C(C=NC2=CC1)Cl)NC(CN(C)C)C1=C(C=CC=C1)F | 3 |
F[C:2]1[C:7]([F:8])=[C:6]([F:9])[CH:5]=[CH:4][C:3]=1[N+:10]([O-:12])=[O:11].[OH-:13].[K+].Cl>CS(C)=O.O.C(Cl)(Cl)Cl>[F:8][C:7]1[C:6]([F:9])=[CH:5][CH:4]=[C:3]([N+:10]([O-:12])=[O:11])[C:2]=1[OH:13] | 1 |
C(C)OC(NC=1SC2=C(N1)C(=CC=C2C=2OCCOC2)OC)=O>>C(C)OC(NC=1SC2=C(N1)C(=CC=C2C2OCCOC2)OC)=O | 5 |
Cl[C:2]1[CH:7]=[CH:6][N:5]=[C:4]([N:8]2[C:20](=[O:21])[C:19]3[S:18][C:17]4[CH2:16][CH2:15][CH2:14][CH2:13][C:12]=4[C:11]=3[CH:10]=[N:9]2)[C:3]=1[CH:22]=[O:23].[CH3:24][N:25]1[CH:30]=[C:29](B2OC(C)(C)C(C)(C)O2)[CH:28]=[C:27]([NH:40][C:41]2[CH:50]=[C:44]3[CH2:45][N:46]([CH3:49])[CH2:47][CH2:48][N:43]3[N:42]=2)[C:26]1=[O:... | 1 |
[Cl:1][C:2]1[C:7](B2OC(C)(C)C(C)(C)O2)=[CH:6][C:5]([S:17]([N:20]([CH3:27])[C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][N:22]=2)(=[O:19])=[O:18])=[C:4]([O:28][CH2:29][CH2:30][CH2:31][CH2:32][OH:33])[CH:3]=1.Br[C:35]1[C:40]([C:41]#[N:42])=[CH:39][C:38]([C:43]([F:46])([F:45])[F:44])=[N:37][CH:36]=1.C([O-])([O-])=O.[Na+].[Na+]>O1... | 1 |
COP(OC)(=O)C(C(C)=O)=[N+]=[N-].C(#N)C=1C=C(C=CC1)C(CC(=O)OC)N1N=CC(=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C>>C[Si](CCOCN1C=CC2=C1N=CN=C2C=2C=NN(C2)C(CC#C)C=2C=C(C#N)C=CC2)(C)C | 5 |
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[C:4]([O:10][CH3:11])[CH:3]=1.C(=O)([O-])[O-].[K+].[K+].Br[CH2:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][C:21]=1[C:30]([F:33])([F:32])[F:31].O>CN(C=O)C>[F:31][C:30]([F:32])([F:33])[C:21]1[CH:22]=[C:23]([C:26]([F:29])([F:27])[F:28])[CH:24]=[CH:25][... | 2 |
COC(CCCCCCCCNC1=C(C=CC=C1)S(NC(=O)[C@@]1([C@@H](C1)C=C)NC(=O)OC(C)(C)C)(=O)=O)=O>>COC(CCCCCCCCNC1=C(C=CC=C1)S(NC(=O)[C@@]1([C@@H](C1)C=C)N)(=O)=O)=O | 5 |
C(C1=CC=CC=C1)OC(=O)Cl.NC1CCN(CC1)C1=CC=C(C(=O)OCC)C=C1>>C(C)OC(C1=CC=C(C=C1)N1CCC(CC1)NC(=O)OCC1=CC=CC=C1)=O | 5 |
[C:1]1([CH2:7][C:8]#[N:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CN(P(N(C)C)(N(C)C)=O)C.C[Si]([N-][Si](C)(C)C)(C)C.[Li+].Br[CH2:32][C:33]1[CH:38]=[CH:37][C:36]([CH2:39][O:40][Si:41]([C:44]([CH3:47])([CH3:46])[CH3:45])([CH3:43])[CH3:42])=[CH:35][CH:34]=1>C1COCC1>[Si:41]([O:40][CH2:39][C:36]1[CH:35]=[CH:34][C:33]([CH2:32][CH... | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH2:10][C:11]([OH:13])=O)[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].C(N1C=CN=C1)(N1C=CN=C1)=O.[C:26]([O:32][CH2:33][CH3:34])(=[O:31])[CH2:27]C([O-])=O>O1CCCC1.C(OCC)(=O)C>[N+:1]([C:4]1[CH:5]=[C:6]([CH2:10][C:11](=[O:13])[CH2:27][C:26]([O:32][CH2:33][CH3:34])=[O:31])[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O... | 2 |
Br[C:2]1[CH:3]=[C:4]([C:8]([C:10]2[C:14]3[CH:15]=[N:16][CH:17]=[CH:18][C:13]=3[N:12]([C:19]([CH3:30])([CH3:29])[CH2:20][O:21][Si:22]([C:25]([CH3:28])([CH3:27])[CH3:26])([CH3:24])[CH3:23])[CH:11]=2)=[O:9])[CH:5]=[N:6][CH:7]=1.[NH3:31]>CN1C(=O)CCC1>[NH2:31][C:2]1[CH:3]=[C:4]([C:8]([C:10]2[C:14]3[CH:15]=[N:16][CH:17]=[CH:... | 1 |
ClCC(=O)Cl.NC(CO)CC1CCCCC1>CC#N.O.C([O-])([O-])=O.[K+].[K+]>ClCC(=O)OCC(CC1CCCCC1)NC(CCl)=O | 3 |
[CH3:1][O:2][C:3](=[O:29])[C@@H:4]([NH:21][C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:5][C:6]1[C:11]([CH3:12])=[CH:10][C:9](S(C(F)(F)F)(=O)=O)=[CH:8][C:7]=1[CH3:20].[C:30]([O-])([O-:32])=[O:31].[K+].[K+]>CN(C=O)C.CC([O-])=O.CC([O-])=O.[Pd+2].C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C... | 1 |
COC(C1=CC(=C(C=C1)CN=[N+]=[N-])OC)=O>CCO[H].[HH].[Pd]>COC(C1=CC(=C(C=C1)CN)OC)=O | 3 |
C1=CC(=CC=C1C(=O)CBr)O.NC1=NC=C(N=C1)Br>CC#N>BrC=1N=CC=2N(C1)C=C(N2)C2=CC=C(C=C2)O | 3 |
[NH2:1][C:2]1[C:13]([Br:14])=[CH:12][C:11]([Br:15])=[CH:10][C:3]=1[C:4]([N:6]([CH2:8][CH3:9])[NH2:7])=[O:5].N1C=CC=CC=1.Cl[C:23]([O:25][CH3:26])=[O:24]>O>[NH2:1][C:2]1[C:13]([Br:14])=[CH:12][C:11]([Br:15])=[CH:10][C:3]=1[C:4]([N:6]([CH2:8][CH3:9])[NH:7][C:23]([O:25][CH3:26])=[O:24])=[O:5] | 2 |
[C:1](#[N:4])[CH:2]=[CH2:3].[CH2:5]=[CH:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12].S(=O)(=O)(O)[OH:14]>>[CH3:5][CH:6]([NH:4][C:1](=[O:14])[CH:2]=[CH2:3])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH3:12] | 1 |
C(C1=CC=C(C=O)C=C1)=O.OCC(=O)C1=CC=CC=C1>>OC1=C(OC2=CC=CC=C2C1=O)C1=CC=C(C=C1)C=1OC2=CC=CC=C2C(C1O)=O | 5 |
[F:1][CH2:2][CH:3]([OH:6])[CH2:4][F:5].[H-].[Na+].[C:9]([C:11]1[CH:12]=[C:13]([C:18]2[O:22][N:21]=[C:20]([C:23]3[CH:40]=[CH:39][C:26]4[CH2:27][CH2:28][N:29]([C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])[CH2:30][CH2:31][C:25]=4[CH:24]=3)[N:19]=2)[CH:14]=[CH:15][C:16]=1F)#[N:10]>CN(C=O)C>[C:9]([C:11]1[CH:12]=[... | 2 |
Cl[CH2:2][CH:3]=[C:4]([CH3:11])[CH2:5][CH2:6][CH:7]=[C:8]([CH3:10])[CH3:9].[Na+].[OH:13][CH:14]([CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH3:26])[CH2:15][CH2:16][C:17]([O-:19])=[O:18]>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[CH3:11][C:4]([CH2:5][CH2:6][CH:7]=[C:8]([CH3:10])[CH3:9])=[CH:3][CH2:2][O:19][C:17](=[O:18])[C... | 1 |
FC=1C=C(C=CC1C)B(O)O.BrC=1C(=C(C(=NC1C)C)[C@@H](C(=O)OCC)OC(C)(C)C)N1CCC(CC1)(C)C>>C(C)(C)(C)O[C@H](C(=O)OCC)C=1C(=NC(=C(C1N1CCC(CC1)(C)C)C1=CC(=C(C=C1)C)F)C)C | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)CO.BrCCCO[Si](C(C)C)(C(C)C)C(C)C>>OCCCOCC1CCNCC1 | 5 |
C(C)(C)OC1=C(C(OC(C)C)=C(C(OC(C)C)=C1Cl)Cl)Cl>O.C(C)OCC.Cl.[Na].C(C)(C)O>C(C)(C)OC1=CC(OC(C)C)=CC(OC(C)C)=C1 | 3 |
Cl.NC1(CC1)C#N.C1(CC1)N1C(N(C2=NC=CN=C21)[C@@H]2C[C@H](C2)NC=2SC(=CN2)C(=O)O)=O>>C(#N)C1(CC1)NC(=O)C1=CN=C(S1)N[C@@H]1C[C@H](C1)N1C(N(C=2C1=NC=CN2)C2CC2)=O | 5 |
O[CH2:2][CH2:3][N:4]([CH3:36])[C:5]([C:7]1[C:12]([O:13][CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[C:11]([OH:21])[N:10]=[C:9]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=2[Cl:35])[N:8]=1)=[O:6].C(OC1C(=O)N=C(CC2C=CC=CC=2C2C=CC=CC=2)N2CCN(C)C(=O)C=12)C1C=... | 1 |
[Br-].C[Mg+].CC1=NC(=CC(=N1)Cl)Cl>C1CCCO1.C(C)OCC.[Br-].[Zn+2].[Br-].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=NC(=NC(=C1)C)C | 3 |
[CH2:1]([N:3]([CH2:42][CH3:43])[C:4](=[O:41])[CH:5]([CH2:22][C:23]1[CH:28]=[CH:27][C:26]([NH:29][C:30](=[O:40])[C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=2[N+:37]([O-])=O)=[CH:25][CH:24]=1)[C:6]([NH:8][S:9]([C:12]1[CH:21]=[CH:20][C:19]2[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=2)[CH:13]=1)(=[O:11])=[O:10])=[O:7])[CH3:2].C... | 1 |
C(OC)(OC)OC.[N+](=O)([O-])C=1C=C(C(=O)O)C=CC1NC1=CC=C(C=C1)OCCOC1=NC=CC=C1>ClCCl.[Fe].C(=O)O>N1=C(C=CC=C1)OCCOC1=CC=C(C=C1)N1C=NC2=C1C=CC(=C2)C(=O)O | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([C:8](=[O:10])[CH3:9])[CH:5]=[CH:6][CH:7]=1.[CH:11](=O)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.O.[OH-].[Ba+2].[OH-].C(O)C>Cl>[OH:1][C:2]1[CH:3]=[C:4]([CH:5]=[CH:6][CH:7]=1)[C:8](=[O:10])[CH:9]=[CH:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1 | 1 |
CN1C(C(=CC(=C1)B1OC(C(O1)(C)C)(C)C)C)=O.BrC=1C=C(C=C(C1)OC1=C(C=C(C=C1)F)F)NS(=O)(=O)CC>O.O1CCOCC1.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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC1=C(OC=2C=C(C=C(C2)C2=CN(C(C(=C2)C)=O)C)NS(=O)(=O)CC)C=CC(=C1)F | 3 |
Cl.[F:2][C:3]1[CH:8]=[C:7]([F:9])[CH:6]=[CH:5][C:4]=1[CH2:10][C:11](=[NH:15])[O:12][CH2:13][CH3:14].[N:16]#[C:17]N>C(O)C.C(OCC)C>[C:17]([N:15]=[C:11]([O:12][CH2:13][CH3:14])[CH2:10][C:4]1[CH:5]=[CH:6][C:7]([F:9])=[CH:8][C:3]=1[F:2])#[N:16] | 1 |
COC1=C(C=O)C(=CC=C1)OC.CC1(OC(=O)CC(=O)O1)C.C(CC)SC1=NC(=CC(N1)=O)N>O.C(CO)O>C(CC)SC=1NC(C2=C(N1)NC(CC2C2=C(C=CC=C2C)C)=O)=O | 3 |
C(=O)C=1C=C2C(=C(C(NC2=CN1)=O)C#N)N1CCC2(CC2)CC1>C1CCCO1.ClCCl.CN(C(C)=O)C.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C(F)(F)F)(C)C>O=C1NC2=CN=C(C=C2C(=C1C#N)N1CCC2(CC2)CC1)C(C(F)(F)F)O | 3 |
ClCCONC(=O)C=1C=NN2C1N=C(C=C2)N2[C@H](CCC2)C=2C(NC=C(C2)F)=O>>FC=1C=C2[C@H]3CCCN3C=3C=CN4N=CC(C(NOCCOC2=NC1)=O)=C4N3 | 5 |
OC=1C(=C(C(=O)OC)C=CC1)C.ClC=1SC2=C(N1)C=CC=C2>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>S1C(=NC2=C1C=CC=C2)OC=2C(=C(C(=O)OC)C=CC2)C | 3 |
C1COCCN1.C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCCCCCNC(CCC1(CCCC1)C(=O)OCC=C)=O>N(C)(C)C=O.C1(=CC=CC=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)[Pd](C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NCCCCCNC(CCC1(CCCC1)C(=O)O)=O | 3 |
[CH2:1]([O:5][C:6]1[C:30]([O:31][CH3:32])=[CH:29][CH:28]=[CH:27][C:7]=1[CH2:8][N:9]([CH3:26])[C:10](=[O:25])/[CH:11]=[CH:12]/[C:13]1[CH:24]=[N:23][C:16]2[NH:17][C:18](=[O:22])[CH2:19][NH:20][CH2:21][C:15]=2[CH:14]=1)[CH:2]([CH3:4])[CH3:3].[ClH:33]>C(Cl)Cl.C(OCC)C>[ClH:33].[CH2:1]([O:5][C:6]1[C:30]([O:31][CH3:32])=[CH:2... | 1 |
C(C)OC1=CC=CC=2C(C3=CC=CC=C3SC12)=O>[Na].C(CCC)O>C(C)OC1=CC=CC=2CC3=CC=CC=C3SC12 | 3 |
C(OC([N:8]1[CH2:13][CH2:12][N:11]([CH:14]2[CH2:26][CH2:25][C:24]3[C:16](=[CH:17][C:18]4[C:19]([CH:23]=3)=[N:20][O:21][N:22]=4)[CH2:15]2)[CH2:10][CH2:9]1)=O)(C)(C)C.[ClH:27]>O1CCOCC1>[ClH:27].[N:11]1([CH:14]2[CH2:26][CH2:25][C:24]3[C:16](=[CH:17][C:18]4[C:19]([CH:23]=3)=[N:20][O:21][N:22]=4)[CH2:15]2)[CH2:10][CH2:9][NH:... | 1 |
[C:1]([O:5][C:6](=[O:30])[NH:7][CH:8]([C:12](=[O:29])[NH:13][C:14]1[CH:19]=[C:18](Br)[CH:17]=[CH:16][C:15]=1[NH:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[CH:9]([CH3:11])[CH3:10])([CH3:4])([CH3:3])[CH3:2].[CH2:31](N(CC)CC)C.C(N[C@@H](C(O)=O)C(C)C)(OC(C)(C)C)=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)... | 1 |
[N:1]1([CH2:6][N:7]2[CH:11]=[N:10][CH:9]=[N:8]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.C([Li])CCC.[CH:17]1([C:23]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[O:24])[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1.O>O1CCCC1>[CH:25]1([C:23]([C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=2)([C:11]2[N:7]([CH2:6][N:1]3[CH2:2][CH2:3][CH2... | 1 |
C(C)OC1=C(N)C(=CC=C1C1=C(C=NC=C1)OC)[N+](=O)[O-]>ClCCl.CCO[H].[HH].[Pd]>C(C)OC1=C(C(=CC=C1C1=C(C=NC=C1)OC)N)N | 3 |
FC1=CC=C(C=C1)[N+](=O)[O-].C[Si](N1CCCC1)(C)C>>[N+](=O)([O-])C1=CC=C(C=C1)N1CCCC1 | 5 |
BrCCOC1=CC=C(C=O)C=C1.C(C)C=1NC(C=C(N1)C)=O>>C(C)C=1N(C(C=C(N1)C)=O)CCOC1=CC=C(C=O)C=C1 | 5 |
C(C)(C)(C)OC(=O)N(CCNC(OCC1=CC=CC=C1)=O)C1CCOCC1>CO[H].O.O.[Pd].[HH]>NCCN(C(OC(C)(C)C)=O)C1CCOCC1 | 3 |
BrC(C)C.OC1=CC=C2C(C(=COC2=C1)C1=CC=CC=C1)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)OC1=CC=C2C(C(=COC2=C1)C1=CC=CC=C1)=O | 3 |
[OH-].[Na+].[Cl:3][C:4]1[CH:5]=[CH:6][C:7]2[N:13]([CH2:14][C:15]([CH3:19])([CH3:18])[CH2:16][OH:17])[C:12](=[O:20])[C@@H:11]([CH2:21][C:22]([NH:24][CH2:25][CH2:26][C:27]3[O:31][C:30]([C:32]([O:34]CC)=[O:33])=[CH:29][C:28]=3[C:37]([O:39]C)=[O:38])=[O:23])[O:10][C@H:9]([C:41]3[CH:46]=[CH:45][CH:44]=[C:43]([O:47][CH3:48])... | 2 |
ClS(=O)(=O)C1=CC=C(O1)C(=O)OC.Cl.Cl.N1=CN=C(C2=C1CNC2)NC=2C=NC1=CC=CC=C1C2>>COC(=O)C=1OC(=CC1)S(=O)(=O)N1CC=2N=CN=C(C2C1)NC=1C=NC2=CC=CC=C2C1 | 5 |
[N+:1]([C:4]1[CH:26]=[CH:25][C:7]([C:8]([N:10]2[CH2:16][CH2:15][C:14]3[CH:17]=[CH:18][CH:19]=[CH:20][C:13]=3[C:12]3[CH:21]=[CH:22][CH:23]=[CH:24][C:11]2=3)=[O:9])=[CH:6][CH:5]=1)([O-])=O.[H][H]>C(O)C.C(OCC)(=O)C.[Pd]>[NH2:1][C:4]1[CH:26]=[CH:25][C:7]([C:8]([N:10]2[CH2:16][CH2:15][C:14]3[CH:17]=[CH:18][CH:19]=[CH:20][C:... | 1 |
NC1CC2=NC=C(C=C2OC1)N1C2=C(NCC1=O)C=CC(=N2)OC>ClCCl.[O-2].[O-2].[Mn+4]>NC1CC2=NC=C(C=C2OC1)N1C2=C(N=CC1=O)C=CC(=N2)OC | 3 |
[CH2:1]([N:3]1[C:7]2[N:8]=[C:9]([C:18]3[CH:23]=[CH:22][C:21]([NH:24][C:25]([NH:27][C:28]4[CH:37]=[CH:36][C:31]([C:32]([O:34]C)=[O:33])=[CH:30][CH:29]=4)=[O:26])=[CH:20][CH:19]=3)[N:10]=[C:11]([N:12]3[CH2:17][CH2:16][O:15][CH2:14][CH2:13]3)[C:6]=2[N:5]=[N:4]1)[CH3:2].[OH-].[Na+].Cl>C1COCC1.CO>[CH2:1]([N:3]1[C:7]2[N:8]=[... | 2 |
ClC1=NC(=CC(N1C)=O)C1=C(C=NC=C1)F.S1C=C(C=C1)N1C[C@H](CC1)CO>>FC=1C=NC=CC1C1=CC(N(C(=N1)OC[C@@H]1CN(CC1)C1=CSC=C1)C)=O | 5 |
[CH3:1][N:2]1[CH2:6][CH2:5][CH2:4][CH2:3]1.[CH3:7][O:8][CH2:9][Cl:10]>C1(C)C=CC=CC=1>[Cl-:10].[CH3:1][N+:2]1([CH2:7][O:8][CH3:9])[CH2:6][CH2:5][CH2:4][CH2:3]1 | 1 |
[C:1]12[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=1)[NH:6]C(=O)[O:4][C:2]2=O.[Br:13][C:14]1[CH:20]=[CH:19][C:17]([NH2:18])=[CH:16][CH:15]=1>CN(C=O)C>[NH2:6][C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][C:1]=1[C:2]([NH:18][C:17]1[CH:19]=[CH:20][C:14]([Br:13])=[CH:15][CH:16]=1)=[O:4] | 1 |
[Cl:1][C:2]1[C:8]([Cl:9])=[CH:7][CH:6]=[CH:5][C:3]=1[NH2:4].[N:10]([O-])=O.[Na+].Cl[Sn]Cl>Cl.O>[Cl:1][C:2]1[C:8]([Cl:9])=[CH:7][CH:6]=[CH:5][C:3]=1[NH:4][NH2:10] | 1 |
O1CCC(CC1)C(=O)Cl.BrC1=CC(=NC=C1)NCC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C>ClCCl.CCN(CC)CC>BrC1=CC(=NC=C1)N(C(=O)C1CCOCC1)CC1=CC=C(C=C1)C1=CC=C(C=C1)N(C)C | 3 |
C(C)(=O)O.NC(C)(C)C1=CC(=C(C=C1)NC(=O)C=1NC=C(N1)C#N)C1=CCCCC1>C(C(=O)Cl)(=O)Cl.C(C)(C)N(C(C)C)CC>C(#N)C=1N=C(NC1)C(=O)NC1=C(C=C(C=C1)C(C)(C)NC(C(=O)N)=O)C1=CCCCC1 | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[N:25]=[C:24]([O:26][C@H:27]3[C@H:31]4[O:32][CH2:33][C@@H:34]([OH:35])[C@H:30]4[O:29][CH2:28]3)[N:23]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:43])([CH3:42])[CH3:41])[C:5]2=[N:6][C:7]=1[C:8]1[CH:13]=[CH:12][C:11](B2OC(C)(C)C(C)(C)O2)=[CH:10][CH:9]=1.Br[C:45]1[N:50]=[N:49][C:48]([N:51]=[S:52](... | 2 |
Br[C:2]1[C:3]([CH3:18])=[C:4]([C:9]([O:16]C)=[C:10]([C:12]([CH3:15])([CH3:14])[CH3:13])[CH:11]=1)[C:5]([O:7]C)=[O:6].[C:19]1(B(O)O)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>>[C:12]([C:10]1[C:9]([OH:16])=[C:4]([C:5]([OH:7])=[O:6])[C:3]([CH3:18])=[C:2]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:11]=1)([CH3:15])([CH... | 2 |
CC(C[AlH]CC(C)C)C.[CH2:10]([O:17][C:18]1[CH:27]=[C:26]([I:28])[CH:25]=[CH:24][C:19]=1[C:20](OC)=[O:21])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1>C1COCC1>[CH2:10]([O:17][C:18]1[CH:27]=[C:26]([I:28])[CH:25]=[CH:24][C:19]=1[CH2:20][OH:21])[C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:12]([C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][C:14]=3[Cl:20])[N:11]=[C:10]([C:21](O)=O)[C:9]=2[CH3:24])=[CH:4][CH:3]=1.[CH:25]1([NH:28][C:29]([CH3:34])([CH3:33])[C:30]([NH2:32])=[O:31])[CH2:27][CH2:26]1>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[N:12]([C:13]3[CH:18]=[CH:17][C:16]... | 1 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([CH2:16][C@H:17]([NH:23][C:24](=[O:33])[O:25][CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C@H:18]([OH:22])[C:19]([CH3:21])=[CH2:20])=[CH:12][CH:11]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C([O:38]O)(C)(C)C.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.C([... | 1 |
C1(CC1)C1=C(C=CC=C1)O.ClC=1N=[N+](C(=CC1)Cl)[O-].ClC1=CC=C(N=[N+]1[O-])OC1=C(C=CC=C1)C1CC1.ClC=1N=[N+](C(=CC1)OC1=C(C=CC=C1)C1CC1)[O-]>>ClC1=CC(=C(N=N1)OC1=C(C=CC=C1)C1CC1)O | 5 |
BrC=1C=C(C(=NC1)OC)Cl.C(C)(C)(C)OC(=O)N1C[C@H](CC1)OC=1C2=C(N=CN1)CCNC2>C1CCCO1.[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.CC(C)(C)[O-].[Na+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4>C(C)(C)(C)OC(=O)N1C[C@H](CC1)OC=1C2=C(N=CN1)CCN(C2)C=2C=NC... | 3 |
[C:1](#[N:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:9][CH2:10][Mg+].[Br-].B(F)(F)F.CCOCC>CCOCC.CC(O[Ti](OC(C)C)(OC(C)C)OC(C)C)C>[C:2]1([C:1]2([NH2:8])[CH2:10][CH2:9]2)[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
COC(C)(C)OC.C(C)(C)(C)OC(=O)N[C@@H](C(=O)OC)CO>C1(=CC=CC=C1)C.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)(C)(C)OC(=O)N1C(OC[C@@H]1C(=O)OC)(C)C | 3 |
C(C)OC(=O)C=1SC(=C(N1)C)Br.CC1=C(C=C(C=C1)C1=NOC(=N1)C)NC(=O)C1=CN=C2N1C=C(C=C2)B(O)O>>CC=1N=C(SC1C=1C=CC=2N(C1)C(=CN2)C(NC2=C(C=CC(=C2)C2=NOC(=N2)C)C)=O)C(=O)OCC | 5 |
O(C1=CC=CC=C1)C1=CC=C(C=C1)CNC(C1=C(N=C(C=C1)Cl)N)=O>C(CCC)O.[H-].[Na+].CN1C(CCC1)=O>O(C1=CC=CC=C1)C1=CC=C(C=C1)CNC(C1=C(N=C(C=C1)OCCCC)N)=O | 3 |
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