smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C1=CC=CC=C1)N1C(C(OCC1CO)(C)C)=O>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>C(C1=CC=CC=C1)N1C(COC(C1=O)(C)C)C=O | 3 |
C[C@@H]1N(CCCC1)C1=NN=C2N1C=C(C=C2)O[C@@H]2CC[C@@H](C1=CC=CC=C21)N.ClC(COC(NC1=CC(=NN1C=1C=NN(C1)CCOC1OCCCC1)C(C)(C)C)=O)(Cl)Cl>>C(C)(C)(C)C1=NN(C(=C1)NC(=O)N[C@H]1CC[C@H](C2=CC=CC=C12)OC=1C=CC=2N(C1)C(=NN2)N2[C@H](CCCC2)C)C=2C=NN(C2)CCOC2OCCCC2 | 5 |
N(=O)CNC(=O)N.FC=1C=C2C(=C(CC2=CC1)C)CC(=O)O>>FC=1C=C2C(=C(CC2=CC1)C)CC(=O)OC | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([SH:9])[CH:6]=[CH:7][CH:8]=1.C(O)C.[OH-].[K+].Br[CH2:16][C:17]([C:19]1[CH:24]=[CH:23][C:22]([F:25])=[CH:21][CH:20]=1)=[O:18]>CCOC(C)=O.O>[F:25][C:22]1[CH:23]=[CH:24][C:19]([C:17](=[O:18])[CH2:16][S:9][C:5]2[CH:6]=[CH:7][CH:8]=[C:3]([O:2][CH3:1])[CH:4]=2)=[CH:20][CH:21]=1 | 2 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].[Si:7]([O:24][CH2:25][C@@H:26]1[CH2:28][C@H:27]1[C:29](OCC)=[O:30])([C:20]([CH3:23])([CH3:22])[CH3:21])([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.O.[OH-].[Na+]>C1COCC1>[Si:7]([O:24][CH2:25][C@@H:26]1[CH2:28][C@H:27]1[CH2:29][OH:30])([C:2... | 1 |
[C]=O.C12CCOC(CO1)(C2)C=2N=C1N(C=C(C(=N1)OC(C)C)I)C2>CO[H].CCN(CC)CC.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]>C12CCOC(CO1)(C2)C=2N=C1N(C=C(C(=N1)OC(C)C)C(=O)OC)C2 | 3 |
[NH2:1][CH2:2][C:3]1[CH:8]=[CH:7][N:6]=[CH:5][CH:4]=1.C([NH:12][C:13]1[CH:22]=[CH:21][C:16]([S:17](Cl)(=[O:19])=[O:18])=[CH:15][CH:14]=1)(=O)C.[N:23]1C=CC=CC=1>>[NH2:12][C:13]1[CH:22]=[CH:21][C:16]([S:17]([NH:23][C:5]2[CH:4]=[C:3]([CH2:2][NH2:1])[CH:8]=[CH:7][N:6]=2)(=[O:19])=[O:18])=[CH:15][CH:14]=1 | 1 |
N1=CN=C(C2=C1CCC2)NC2=CC=C(C=C2)C(\C=C\CC2CCN(CC2)CC2=CC=CC=C2)=O>CCO[H].[Pt](=O)=O>N1=CN=C(C2=C1CCC2)NC2=CC=C(C=C2)C(CCCC2CCN(CC2)CC2=CC=CC=C2)=O | 3 |
Cl.NOCCO.FC1=C2C=CC=NC2=CC(=C1C(C)N1N=NC=2C1=NC(=CN2)C(C)=O)F>CO[H]>OCCO\N=C(/C)\C1=CN=C2C(=N1)N(N=N2)C(C)C=2C(=C1C=CC=NC1=CC2F)F | 3 |
CC1(C2=CC=CC=C2C2=CC=3C(C=4C=CC=CC4C(C3C=C21)=O)=O)C>>CC1(C2=CC=CC=C2C2=CC=3C=C4C=CC=CC4=CC3C=C21)C | 5 |
[Si:1]([O:8][C@H:9]([C:32]1[CH:33]=[N:34][C:35](Cl)=[CH:36][CH:37]=1)[C@H:10]1[CH2:14][CH2:13][C@H:12]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([N+:22]([O-])=O)=[CH:18][CH:17]=2)[N:11]1[C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].C([O-])(=O)C.[K+]>[Pd].C(O)C>[NH2:... | 1 |
ClC=1C=C2CCC[C@@]3(C2=CC1)COC1=C(N(C3)C[C@H]3[C@@H](CC3)COC=3C=C(C=NC3)CC(=O)OC)C=C(C=C1)S(N)(=O)=O>>ClC=1C=C2CCC[C@@]3(C2=CC1)COC1=C(N(C3)C[C@H]3[C@@H](CC3)COC=3C=C(C=NC3)CC(=O)O)C=C(C=C1)S(N)(=O)=O | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:12]([O:14][CH3:15])=[O:13])[C:5]([C:8]([O:10][CH3:11])=[O:9])=[CH:6][CH:7]=1.[C:16]([O-])([O-])=O.[K+].[K+].CN(C)[C:24](=O)[CH3:25].[CH2:28](Cl)[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.[C:36](OC)([CH3:39])([CH3:38])[CH3:37]>O>[CH2:28]([N:1]([CH2:37][C:36]1[CH:39]=[CH:25][CH:24]=[CH:16... | 1 |
C(C)(C)(C)N1N=C(C=2C1=NC=NC2O)C(F)(F)F>>C(C)(C)(C)N1N=C(C=2C1=NC=NC2Cl)C(F)(F)F | 5 |
[F:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([N:8]2[CH2:10][CH2:9]2)=[O:7])=[C:4]([O:13][CH3:14])[CH:3]=1.[NH:15]1[CH2:20][CH2:19][CH:18]([N:21]2[C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=3[NH:23][C:22]2=[O:30])[CH2:17][CH2:16]1.CO>C1C=CC=CC=1>[O:30]=[C:22]1[N:21]([CH:18]2[CH2:17][CH2:16][N:15]([CH2:9][CH2:10][NH:8][C:6](=[O... | 1 |
[H-].C([Al+]CC(C)C)C(C)C.[O:11]([CH2:18][CH2:19][N:20]1[CH2:25][CH2:24][CH2:23][CH:22]([C:26](OCC)=[O:27])[CH2:21]1)[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>C1COCC1>[O:11]([CH2:18][CH2:19][N:20]1[CH2:25][CH2:24][CH2:23][CH:22]([CH:26]=[O:27])[CH2:21]1)[C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1 | 1 |
OC=1C=NC=CC1.ClC1=NC(=NC(=C1)C)NC(NC1=CC(=C(C=C1)Cl)Cl)=N>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC=1C=C(C=CC1Cl)NC(=N)NC1=NC(=CC(=N1)OC=1C=NC=CC1)C | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]2[CH2:14][C@@H:13]([O:15][CH2:16][CH3:17])[CH2:12][CH2:11][N:10]2[CH2:18][C:19]2[C:27]([O:28][CH3:29])=[CH:26][C:25]([CH3:30])=[C:24]3[C:20]=2[CH:21]=[CH:22][N:23]3C(OC(C)(C)C)=O)=[CH:5][CH:4]=1)#[N:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH2:16]([O:15][C@H:13]1[CH2:12][CH2:11][N:10]([CH2:18... | 2 |
ClC1=NC=C(C(=N1)C1=CN=C2N1C=CC=C2)Cl.ClC=1C(=NC(=NC1)NC1=C(C=C(OC2CCN(CC2)C(C)=O)C=C1)OC)C1=CN=C2N1C=CC=C2>>ClC=1C(=NC(=NC1)NC1=C(C=C(C=C1)N1CC(NCC1)=O)OC)C1=CN=C2N1C=CC=C2 | 5 |
[OH:1][C:2]([CH3:34])([CH3:33])[CH2:3][C@@:4]1([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[O:9][C:8](=[O:10])[N:7]([C@H:11]([C:13]2[CH:18]=[CH:17][C:16]([C:19]3[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[CH:21][N:20]=3)=[CH:15][CH:14]=2)[CH3:12])[CH2:6][CH2:5]1.OO.C([O-])([O-])=[O:38].[K+].[K+]>CS(C)=O>[OH:1][C:2]([CH3:3... | 1 |
ClC1=CC=C2C3=C(C(OC2=C1)=O)C=C(C=C3)OC>O.ClCCl.B(Br)(Br)Br>ClC1=CC=C2C3=C(C(OC2=C1)=O)C=C(C=C3)O | 3 |
Cl[CH2:2][C:3]1[O:4][CH:5]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[N:7]=1.[F:14][C:15]([F:31])([F:30])[CH2:16][NH:17][C:18]1[CH:25]=[CH:24][C:21]([C:22]#[N:23])=[C:20]([C:26]([F:29])([F:28])[F:27])[CH:19]=1.[H-].[Na+]>>[C:8]1([C:6]2[N:7]=[C:3]([CH2:2][N:17]([CH2:16][C:15]([F:14])([F:30])[F:31])[C:18]3[CH:25... | 2 |
BrC=1SC(=CN1)C>N(C)(C)C=O.C1CCCO1.CO[H].[Na+].[BH4-].C(CCC)[Li].CC(=O)C>S1C(=NC=C1)CO | 3 |
C(C)(C)(C)OC(=O)N1[C@H](CC(C1)F)CC1=C(NC2=CC=CC=C12)C>ClCCl.C(=O)(C(F)(F)F)O>FC1C[C@@H](NC1)CC1=C(NC2=CC=CC=C12)C | 3 |
COC(=O)C=1N=C(SC1C=1C=C(C=CC1)C)Br>>COC=1SC(=C(N1)C(=O)O)C=1C=C(C=CC1)C | 5 |
ClC=1C=C2CCC[C@](C2=CC1)(C=O)COC1=C(C=C(C(=O)OC(C)(C)C)C=C1)[N+](=O)[O-]>>ClC=1C=C2CCC[C@]3(C2=CC1)CNC1=C(OC3)C=CC(=C1)C(=O)OC(C)(C)C | 5 |
N1C(CNCC1)=O.CS(=O)(=O)OCCOCCN1C(C2=CC=CC=C2C1=O)=O>>O=C1CN(CCN1)CCOCCN1C(C2=CC=CC=C2C1=O)=O | 5 |
C([C@H]([C@@H](CS)O)O)S.ClC1=C(C(=NC=C1)C(=O)OC)F.[N+](=O)([O-])C=1C=CC(=NC1)NC=1SC(=CN1)SC#N>>FC=1C(=NC=CC1SC1=CN=C(S1)NC1=NC=C(C=C1)[N+](=O)[O-])C(=O)OC | 5 |
NC=1N=NC(=CN1)C(=O)OCC>CC#N.Cl.[Cu](Cl)Cl.N(=O)OC(C)(C)C>ClC=1N=NC(=CN1)C(=O)OCC | 3 |
BrC1=CC=C(C(=N1)C)[N+](=O)[O-].CC1(CC1)O>C1(=CC=CC=C1)C.O.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.C(C1=CC=CC=C1)=CC(=O)C=CC1=CC=CC=C1.[Pd]>CC1=NC(=CC=C1[N+](=O)[O-])OC1(CC1)C | 3 |
[CH3:1][O:2][C:3]([C:5]1[CH:6]=[C:7]([C:11]2[CH:16]=[CH:15][C:14]([N+:17]([O-])=O)=[C:13]([CH:20]=[CH:21][C:22]([O:24]C)=O)[N:12]=2)[CH:8]=[N:9][CH:10]=1)=[O:4].CC(O)=O>CO.[Pd]>[CH3:1][O:2][C:3](=[O:4])[C:5]1[CH:6]=[C:7]([C:11]2[CH:16]=[CH:15][C:14]3[NH:17][C:22](=[O:24])[CH2:21][CH2:20][C:13]=3[N:12]=2)[CH:8]=[N:9][CH... | 1 |
C[Si](O[C@H]1C(=O)O[C@@H]([C@H]([C@@H]1O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)(C)C.C(C)(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OC(C)=O)OC(C)=O)C1=CC(=C(C=C1)Cl)CBr)COC(C)=O.C(C=C)OC1=CC=C(CC2=C(C=CC(=C2)Br)Cl)C=C1>>C(C=C)OC1=CC=C(CC=2C=C(C=CC2Cl)[C@@]2(O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)OC)C=C1 | 5 |
CB(O)O.BrC1=NN(C2=CC=CC(=C12)[N+](=O)[O-])CC1=NC(=CC=C1)OCC>O.C([O-])([O-])=O.[K+].[K+].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>C(C)OC1=CC=CC(=N1)CN1N=C(C2=C(C=CC=C12)[N+](=O)[O-])C | 3 |
CC1C=CC(S(O[CH2:12][C@H:13]2[CH2:26][O:25][C:16]3[CH:17]=[CH:18][C:19]4[N:20]=[C:21]([CH3:24])[O:22][C:23]=4[C:15]=3[O:14]2)(=O)=O)=CC=1.[NH:27]1[CH2:32][CH:31]=[C:30]([C:33]2[C:41]3[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=3)[NH:35][CH:34]=2)[CH2:29][CH2:28]1>CS(C)=O>[NH:35]1[C:36]2[C:41](=[CH:40][CH:39]=[CH:38][CH:37]=2)... | 1 |
C1=C(C=CC2=CC=CC=C12)CC=1C(=C(SC1C1=NN(C=N1)C1OCCCC1)C1=CN=NC=C1)C#N>O.CO[H].Cl>C1=C(C=CC2=CC=CC=C12)CC=1C(=C(SC1C1=NN=CN1)C1=CN=NC=C1)C#N | 3 |
N[C@@H]([C@H](O)C)CO.FC1=CC=C2C(=NN(C2=C1)C)C=1N=C2C(=NC1)N(C=C2C(=O)O)COCC[Si](C)(C)C>>O[C@@H]([C@@H](CO)NC(=O)C1=CN(C2=NC=C(N=C21)C2=NN(C1=CC(=CC=C21)F)C)COCC[Si](C)(C)C)C | 5 |
BrC1=CC=C(S1)C#N.NC1=CC=C(C=C1)S>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>NC1=CC=C(C=C1)SC1=CC=C(S1)C#N | 3 |
ClC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]>CC#N.P(=O)(Cl)(Cl)Cl.S1(=O)(=O)CCCC1>ClC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)Cl | 3 |
C[Al](C)C.[CH3:5][O:6][CH2:7][CH2:8][CH2:9][NH2:10].[C:11]([O:15][C:16]([N:18]([CH3:47])[CH2:19][CH2:20][N:21]([CH2:23][C:24]1[C:25]([CH:35]2[CH2:40][C@H:39]([C:41](OC)=[O:42])[C:38]([CH3:46])([CH3:45])[CH2:37][CH2:36]2)=[N:26][N:27]([CH:29]2[CH2:34][CH2:33][CH2:32][CH2:31][O:30]2)[CH:28]=1)[CH3:22])=[O:17])([CH3:14])(... | 2 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:9](O)[C:10]2([F:22])[CH2:14][CH2:13][N:12]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:11]2)[CH:5]=[CH:6][C:7]=1[F:8].[C:24]1(=[O:34])[NH:28][C:27](=[O:29])[C:26]2=[CH:30][CH:31]=[CH:32][CH:33]=[C:25]12.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CCOC(/N=N/C(OCC)=O)=O>C1COCC1>[C... | 1 |
C1(=CC=CC=C1)P(=C(C=O)C)(C1=CC=CC=C1)C1=CC=CC=C1.N(=[N+]=[N-])C1=NC=2N(C=C1C)N=CC2C(=O)OC(C)(C)C>C1CCCO1>CC=1C(=NC=2N(C1)N=CC2C(=O)OC(C)(C)C)N2N=NC(=C2)C | 3 |
[C:1]([NH:4][CH:5]([C:16]([OH:18])=[O:17])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH3:13])=[C:9]([O:14][CH3:15])[CH:8]=1)(=[O:3])[CH3:2]>O.[OH-].[Na+].[Co](Cl)Cl>[C:1]([NH:4][C@@H:5]([C:16]([OH:18])=[O:17])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH3:13])=[C:9]([O:14][CH3:15])[CH:8]=1)(=[O:3])[CH3:2] | 1 |
C(C)(C)(C)OC(=O)NCC(=O)O.Cl.C(C)C1=CC=C(C=C1)NC(OCC1(CCNCC1)C(NCC1=C(C=CC=C1)Cl)=O)=O>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>C(C)C1=CC=C(C=C1)NC(OCC1(CCN(CC1)C(CNC(=O)OC(C)(C)C)=O)C(NCC1=C(C=CC=C1)Cl)=O)=O | 3 |
BrC[CH2:3][CH2:4][CH2:5][C:6]([CH3:21])([C:15]1C=CC=CC=1)[CH2:7][O:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][O:10]1.[Br:22]CCCC(C)(C)CO.O1C=CCCC1>C(Cl)Cl.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>[Br:22][CH2:3][CH2:4][CH2:5][C:6]([CH3:21])([CH3:15])[CH2:7][O:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][O:10]1 | 1 |
Cl.CNC.O1COCOC1.FC=1C=C(C=CC1F)\C=C\C(CC)=O>CCO[H].Cl>FC=1C=C(C=CC1F)\C=C\C(C(CN(C)C)C)=O | 3 |
FC=1C=CC(=C(C1)C(CC(CO)(C(F)(F)F)OCOC)(C)C)OC>>FC=1C=CC(=C(C1)C(CC(C=O)(C(F)(F)F)OCOC)(C)C)OC | 5 |
[O-2].[Mg+2].[Br:3][CH2:4][CH2:5][CH2:6]Br.[Cl:8][C:9]1[CH:10]=[C:11]([CH2:16][C:17]([O:19][CH3:20])=[O:18])[CH:12]=[CH:13][C:14]=1[NH2:15].Cl>CC(N(C)C)=O>[Cl:8][C:9]1[CH:10]=[C:11]([CH2:16][C:17]([O:19][CH3:20])=[O:18])[CH:12]=[CH:13][C:14]=1[NH:15][CH2:6][CH2:5][CH2:4][Br:3] | 1 |
COC(=O)C=1N=C(C2=CC(=CC=C2C1O)OC1=CC2=CC=CC=C2C=C1)I>N(C)(C)C=O.ClCCl.[Cu+].[C-]#N>COC(=O)C=1N=C(C2=CC(=CC=C2C1O)OC1=CC2=CC=CC=C2C=C1)C#N | 3 |
C(C)(C)(C)OC(NCC(C)O)=O.ClC1=C(C=C(C(=O)N2CC=3C(C[C@H]2C)=NNC3C(=O)OCC)C=C1)C#N>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C>C(C)(C)(C)OC(=O)NCC(C)N1N=C2C(CN([C@@H](C2)C)C(C2=CC(=C(C=C2)Cl)C#N)=O)=C1C(=O)OCC | 3 |
FC(F)(F)S(O[C:7]1[N:16]=[CH:15][CH:14]=[CH:13][C:8]=1[C:9]([O:11][CH3:12])=[O:10])(=O)=O.[NH2:19][C:20]1[CH:24]=[C:23]([CH3:25])[O:22][N:21]=1.C(=O)([O-])[O-].[Cs+].[Cs+].C1(P(C2C=CC=CC=2)C2C3OC4C(=CC=CC=4P(C4C=CC=CC=4)C4C=CC=CC=4)C(C)(C)C=3C=CC=2)C=CC=CC=1>C1(C)C=CC=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(... | 1 |
C1(=CC=CC=C1)S(=O)(=O)Cl.ClC=1C=C2C[C@@H](CN(C2=CC1)C(=O)[C@@H]([C@@H](C)C1=CNC2=CC=CC=C12)NC(=O)N1CCNCCC1)CN(C)C>C1CCCO1.CCN(CC)CC>ClC=1C=C2C[C@@H](CN(C2=CC1)C(=O)[C@@H]([C@@H](C)C1=CNC2=CC=CC=C12)NC(=O)N1CCN(CCC1)S(=O)(=O)C1=CC=CC=C1)CN(C)C | 3 |
COC1=CC=C2CCC=C(C2=C1)CC#N.C(C(=C)C)(=O)OCC=C>C1(=CC=CC=C1)C.[Pd]>COC1=CC=C2C=CC=C(C2=C1)CC#N | 3 |
Cl.Cl.NN.ClC=1C=C(C=CC1)C(\C=C(\C=C\C1=CC=C(C=C1)O)/O)=O>CCO[H].C(C)(=O)O>ClC=1C=C(C=CC1)C1=NNC(=C1)/C=C/C1=CC=C(C=C1)O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:7]=[CH:8][C:9]=1[C:10]1[O:14][CH:13]=[N:12][CH:11]=1)[NH2:6].[C:15]([O:19][C:20]([N:22]1[CH2:26][CH2:25][CH:24]([CH:27]([CH3:29])[CH3:28])[CH:23]1[C:30](O)=[O:31])=[O:21])([CH3:18])([CH3:17])[CH3:16].C(N(CC)C(C)C)(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C([O-])(O)=O... | 2 |
CS(=O)(=O)Cl.FC1(C(C1)CN1S(N(C2=NC(=CC=C21)C=2CC1C(CNC1)C2)C)(=O)=O)F>CC#N.C(C)(C)N(C(C)C)CC>FC1(C(C1)CN1S(N(C2=NC(=CC=C21)C=2CC1C(CN(C1)S(=O)(=O)C)C2)C)(=O)=O)F | 3 |
C([O:4][C@@H:5]1[C@@H:18]([O:19]C(=O)C)[C@H:17]([O:23]C(=O)C)[CH2:16][S:15][C@H:6]1[O:7][C:8]1[CH:13]=[CH:12][C:11](I)=[CH:10][CH:9]=1)(=O)C.[CH3:27][C:28]1[C:32](B(O)O)=[C:31]([CH3:36])[O:30][N:29]=1>>[O:7]([C:8]1[CH:9]=[CH:10][C:11]([C:32]2[C:28]([CH3:27])=[N:29][O:30][C:31]=2[CH3:36])=[CH:12][CH:13]=1)[C@@H:6]1[S:15... | 1 |
[OH-].[Na+].C([O:5][C:6](=[O:15])[CH2:7][N:8]1[CH2:13][CH2:12][N:11]([CH3:14])[CH2:10][CH2:9]1)C>O1CCOCC1.O>[CH3:14][N:11]1[CH2:10][CH2:9][N:8]([CH2:7][C:6]([OH:15])=[O:5])[CH2:13][CH2:12]1 | 2 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[NH:5][C:4](=[O:9])[C:3]=1[CH2:10][NH:11][C:12]([C:14]1[C:15]2[CH:35]=[N:34][N:33]([CH:36]([CH3:38])[CH3:37])[C:16]=2[N:17]=[C:18]([C:20]2[CH2:21][CH2:22][N:23]([C:26]([CH:28]3[CH2:32][CH2:31][NH:30][CH2:29]3)=[O:27])[CH2:24][CH:25]=2)[CH:19]=1)=[O:13].C=O.[BH3-][C:42]#N.[Na+]>CO>[CH3:... | 1 |
C(C=C)OC1=C(C=O)C=CC(=C1OC(C)C)[N+](=O)[O-]>Cl.CC(C)(C)O.Cl(=O)[O-].[Na+].CC(C)=CC.O.P(=O)(O)(O)[O-].[Na+]>C(C=C)OC1=C(C(=O)O)C=CC(=C1OC(C)C)[N+](=O)[O-] | 3 |
[F:1][C:2]1[C:3]([F:16])=[CH:4][C:5]2[C:6]3[CH2:14][N:13]([CH3:15])[CH2:12][CH2:11][C:7]=3[NH:8][C:9]=2[CH:10]=1.N1CCC[C@H]1C(O)=O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].Br[CH:34]=[C:35]([C:37]1[CH:38]=[CH:39][C:40]([CH3:43])=[N:41][CH:42]=1)[CH3:36]>CN(C=O)C.[Cu]I>[F:1][C:2]1[C:3]([F:16])=[CH:4][C:5]2[C:6]3[CH2:14][N:13... | 1 |
OC1=CC=C(C=C1)N1C(N(C(C1(C)C)=O)C1=CC(=C(C#N)C=C1)C(F)(F)F)=S.CC(C=O)(C([C@H](C)CO)=O)C>C1(=CC=CC=C1)C.C(CCC)P(CCCC)CCCC.C1CCN(CC1)C(=O)N=NC(=O)N2CCCCC2>CC1(OC[C@H](O1)COC1=CC=C(C=C1)N1C(N(C(C1(C)C)=O)C1=CC(=C(C#N)C=C1)C(F)(F)F)=S)C | 3 |
[CH3:1][N:2]1[C:7]2[N:8]([CH3:15])[CH:9]=[C:10]([CH2:11][C:12]([OH:14])=O)[C:6]=2[C:5](=[O:16])[N:4]([CH3:17])[C:3]1=[O:18].[F:19][C:20]1[CH:21]=[C:22]([C:30]2[N:31]=[C:32]([NH2:35])[S:33][CH:34]=2)[CH:23]=[CH:24][C:25]=1[C:26]([F:29])([F:28])[F:27].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1>CN(C1C=CN=CC=1)C.ClCCCl>[F:19]... | 1 |
[C:1]([CH:5]([CH2:11][CH:12]=[CH:13][C:14]1[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=1)[CH2:6][CH2:7][CH2:8][C:9]#[N:10])([O:3][CH3:4])=[O:2].N>CO.[Rh]>[NH2:10][CH2:9][CH2:8][CH2:7][CH2:6][CH:5]([CH2:11][CH2:12][CH2:13][C:14]1[CH:15]=[N:16][CH:17]=[CH:18][CH:19]=1)[C:1]([O:3][CH3:4])=[O:2] | 1 |
[ClH:1].Cl.[NH2:3][C:4]1[CH:12]=[CH:11][C:7]([C:8]([NH2:10])=N)=[CH:6][CH:5]=1.[C:13]1(=[O:19])[O:18][C:16](=[O:17])[CH2:15][CH2:14]1.[N:20]1C=CC=CC=1>>[ClH:1].[NH2:20][N:10]=[CH:8][C:7]1[CH:6]=[CH:5][C:4]([NH:3][C:13](=[O:19])[CH2:14][CH2:15][C:16]([OH:18])=[O:17])=[CH:12][CH:11]=1 | 1 |
[CH2:1]([N:8]([CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1)[C@@H:9]([CH2:12][C:13]1[CH:18]=[CH:17][C:16]([C:19]([F:22])([F:21])[F:20])=[CH:15][CH:14]=1)[CH:10]=[O:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:30][Mg]Br.[Cl-].[NH4+]>CCOCC>[CH2:23]([N:8]([CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[C@@H... | 1 |
ClC(C(=O)[O-])(F)F.[Na+].FC1=CC=C(C=C1)C=1CC(N(N1)C)=O>CC#N.C([O-])([O-])=O.[K+].[K+].[Cl-].[NH4+]>FC(OC1=CC(=NN1C)C1=CC=C(C=C1)F)F | 3 |
[ClH:1].[NH2:2][N:3]1[C:12](=[O:13])[C:11]2[C:6](=[C:7](OC)[C:8]([N:15]3[CH2:19][CH:18]([CH:20]([NH2:22])[CH3:21])[C:17]([CH3:24])(C)[CH2:16]3)=[C:9]([F:14])[CH:10]=2)[N:5]([CH:27]2[CH2:29][CH2:28]2)[C:4]1=[O:30].[C:31]([O:35]C(=O)NC(C1C(C)(C)CN(C2C(OC)=C3C(C(=O)N(N)C(=O)N3C3CC3)=CC=2F)C1)C)(C)([CH3:33])[CH3:32]>>[ClH:... | 1 |
[OH:1][C:2]([C:30]1[CH:31]=[C:32]2[C:37](=[CH:38][CH:39]=1)[CH:36]=[C:35](C=O)[CH:34]=[CH:33]2)([C:6]1[N:7]=[CH:8][N:9](C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[CH:10]=1)[CH:3]([CH3:5])[CH3:4].S([CH2:52][N+:53]#[C-:54])(C1C=CC(C)=CC=1)(=O)=O.[C:55]([O-:58])([O-])=O.[K+].[K+]>CO.O>[NH:9]1[CH:10]=[C:6]([C:2]([C:30]2[CH:39... | 1 |
COC1=C(CN)C=CC(=C1)OC>O.CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC1=NC(=C(C2=C1C(N(C2)CC2=C(C=C(C=C2)OC)OC)=O)F)N2CN([C@@H]1[C@H]2CCCC1)C(=O)OC(C)(C)C | 3 |
C([O:4][C:5]1[C:15]([CH3:16])=[CH:14][C:8]([O:9][CH2:10][CH:11]2[O:13][CH2:12]2)=[C:7]([CH3:17])[C:6]=1[CH3:18])(=O)C.[CH3:19][O:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[N:27]1[CH2:32][CH2:31][NH:30][CH2:29][CH2:28]1>O1CCOCC1>[CH3:17][C:7]1[C:6]([CH3:18])=[C:5]([OH:4])[C:15]([CH3:16])=[CH:14][C:8]=1[O:9][CH2:10... | 1 |
C1(CC1)CO.ClC1=NC=CC(=N1)N>>C1(CC1)COC1=NC=CC(=N1)N | 5 |
Cl[C:2]1[CH:3]=[C:4]([C:9]2[N:13]3[CH:14]=[CH:15][C:16]([C:19]([OH:22])([CH3:21])[CH3:20])=[C:17]([F:18])[C:12]3=[N:11][CH:10]=2)[CH:5]=[CH:6][C:7]=1[F:8].[CH3:23][S:24]([C:27]1[CH:32]=[CH:31][C:30](B(O)O)=[CH:29][CH:28]=1)(=[O:26])=[O:25]>>[F:18][C:17]1[C:12]2[N:13]([C:9]([C:4]3[CH:5]=[CH:6][C:7]([F:8])=[C:2]([C:30]4[... | 1 |
C(C1=CC=CC=C1)N1CCOCC(C1)C1=CC=C(C=C1)Br>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[Na+].[Na+].CN1C(CCC1)=O.C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.[K+].[K+].[K+].[K+].[Fe+2]>C(C1=CC=CC=C1)N1CCOCC(C1)C1=CC=C(C#N)C=C1 | 3 |
[CH3:1][O:2][C:3](=[O:12])[CH2:4][C:5]1[CH:6]=[N:7][CH:8]=[C:9](Br)[CH:10]=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].[CH2:50]([C:52]([C:71]1[CH:76]=[CH:75][C:74]([C:77]#[C:78][C:79]2([O:85][Si:86]([CH3:89])([CH3:88])[CH3:87])[CH2:84][CH2:83][O:82][CH2:81][CH2:80]2)=[C:73](... | 1 |
P(=O)(OC(C)(C)C)(OC(C)(C)C)OCCl.CN(CCC1=CNC=2C=CC=C(C12)O)C>N(C)(C)C=O.O.[H-].[Na+].[I-].[K+]>P(=O)(OC(C)(C)C)(OC(C)(C)C)OCOC1=C2C(=CNC2=CC=C1)CCN(C)C | 3 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH:13]([NH2:16])[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH2:24]([O:28][C:29](Cl)=[O:30])[CH2:25][CH2:26][CH3:27]>ClCCl>[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH:13]([NH:16][C:29]([O:28][CH2:24][CH2:25][CH2:26][CH3:27])=[O:30])[CH2:12]1)=[O:1... | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=CC=C(C=C1)O.ClCCN(C)C>N(C)(C)C=O.O.[H-].[Na+]>CN(CCOC1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
OCC1=NC=CC=C1.COC(=O)[C@H]1N(CCCC1)C(=O)Cl>C1CCCO1.[H-].[Na+]>COC(=O)[C@H]1N(CCCC1)C(=O)OCC1=NC=CC=C1 | 3 |
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC1=CC=C(C=C1)O[C@@H]1CC[C@H](CC1)CC>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>C(C)[C@@H]1CC[C@H](CC1)OC1=CC=C(C=C1)C1=CCN(CC1)C(=O)OC(C)(C)C | 3 |
C(C)C1=C(C(=CC=C1)CC)C1=NC=2CCCC(C2C(=C1)CC)O>ClCCl.ClS(Cl)=O>ClC1C=2C(=CC(=NC2CCC1)C1=C(C=CC=C1CC)CC)CC | 3 |
C(C1=CC=CC=C1)OC(=O)ON1C(CCC1=O)=O.NC=1C=CC(=C(C1)O)CC1=CC=C(C=C1)OC>C1CCCO1>OC=1C=C(C=CC1CC1=CC=C(C=C1)OC)NC(OCC1=CC=CC=C1)=O | 3 |
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7](=O)[NH:8][CH:9]=[N:10]2)=[C:5]([O:14][CH:15]2[CH2:20][CH2:19][O:18][CH2:17][CH2:16]2)[CH:4]=1.[Cl:21][C:22]1[CH:23]=[C:24]([CH:26]=[CH:27][C:28]=1[F:29])[NH2:25]>>[Cl:21][C:22]1[CH:23]=[C:24]([CH:26]=[CH:27][C:28]=1[F:29])[NH:25][C:7]1[C:6]2[C:11](=[CH:12][C:3]([O:2][CH3:1])... | 2 |
Cl.Cl[C:3]1[N:8]2[N:9]=[C:10]([CH:12]3[CH2:17][CH2:16][N:15]([CH:18]([CH3:20])[CH3:19])[CH2:14][CH2:13]3)[N:11]=[C:7]2[CH:6]=[C:5]([C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][C:22]=2[Cl:28])[N:4]=1.Cl.[NH:30]1[CH2:35][CH2:34][CH2:33][CH:32]([NH:36][C:37]2[N:42]=[CH:41][C:40]([C:43]#[N:44])=[CH:39][CH:38]=2)[CH2:31]1.C... | 1 |
FC1=C(C=C(C=C1)F)[N+](=O)[O-].C(C1=CC=CC=C1)OCCC(C(C(=O)O)N(CC1=CC=CC=C1)CC1=CC=CC=C1)O>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OCCC(C(C(=O)O)N(CC1=CC=CC=C1)CC1=CC=CC=C1)OC1=C(C=C(C=C1)F)[N+](=O)[O-] | 3 |
C([O-])([O-])=O.[K+].[K+].[C:7]1([SH:13])[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.Br[C:15]1[N:23]([CH2:24][C@H:25]2[CH2:30][CH2:29][C@H:28]([CH3:31])[CH2:27][CH2:26]2)[C:22]2[C:17](=[N:18][C:19]([C:39]#[N:40])=[N:20][C:21]=2[NH:32][C@@H:33]([CH:35]2[CH2:38][CH2:37][CH2:36]2)[CH3:34])[N:16]=1>CN(C=O)C>[CH:35]1([C@H:33]([NH... | 2 |
C1(CC1)N.ClC1=NC=NC(=C1)OC>CCO[H]>C1(CC1)NC1=NC=NC(=C1)OC | 3 |
[F:1][CH:2]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[F:16])[CH2:3][CH:4]1[CH2:9][CH2:8][NH:7][CH2:6][CH2:5]1.C([O:21][C:22]1[C:23]([CH:28]=O)=[N:24][CH:25]=[CH:26][N:27]=1)(C)(C)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[OH-].[Na+]>O1CCCC1.C(OCC)(=O)C>[F:1][CH:2]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[F:16])[C... | 1 |
[CH2:1]([O:8][C:9]([NH:11][C:12]1[C:13]([C:29](O)=[O:30])=[N:14][C:15]2[C:20]([CH:21]=1)=[CH:19][CH:18]=[C:17]([N:22]1[CH2:27][CH2:26][CH2:25][CH2:24][C:23]1=[O:28])[CH:16]=2)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:32][C:33]1[CH:34]=[N:35][CH:36]=[CH:37][C:38]=1[N:39]1[CH2:44][C@H:43]([CH3:45])[C@@H:42]([... | 1 |
C[C@H](CC(=O)OCC)CCC=O>CO[H].[Na+].[BH4-]>OCCC[C@@H](CC(=O)OCC)C | 3 |
[CH3:1][C:2]1[CH:30]=[CH:29][CH:28]=[C:27]([CH3:31])[C:3]=1[O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][C:14]=1[CH3:15])[N:11]=[C:10]([N:16]1[CH:20]=[C:19]([C:21]([O:23]CC)=[O:22])[CH:18]=[N:17]1)[NH:9][C:8]2=O.[CH2:32]([NH:34][CH2:35][CH3:36])[CH3:33]>>[CH3:31][C:27]1[CH:28]=[CH:29][CH:30]=[C:2]([CH3:1])[C:3]=1[O:4][C:5]1[... | 1 |
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)Cl.C(CCCO)O>C1CCCO1.C(CCC)[Li]>C(C)(C)(C)[Si](OCCCCO)(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
BrC1=NC(=C2N1C1=C(OC2)C=C(C(=C1)OC(C)C)OC)C(=O)OCC>>BrC1=NC(=C2N1C1=C(OC2)C=C(C(=C1)OC(C)C)OC)C(=O)O | 5 |
C(C#C)O.BrC1=NC=C(C=C1)C>[Cu]I.N(C)(C)C=O.CCN(CC)CC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>CC=1C=CC(=NC1)C#CCO | 3 |
Cl.Cl.[CH2:3]([N:5]1[CH2:10][CH2:9][CH:8]([NH:11][C:12]2[CH:13]=[C:14]3[C:18](=[CH:19][CH:20]=2)[NH:17][C:16]([C:21](O)=[O:22])=[CH:15]3)[CH2:7][CH2:6]1)[CH3:4].F[B-](F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.CCN(C(C)C)C(C)C.[NH:55]1[CH2:60][CH2:59][O:58][CH2:57][CH2:56]1>CN(C=O)C>[CH2:3]([N:5]1[CH2:6][CH2:7][CH:8](... | 1 |
C(C)N=C=O.C(C)OC(=O)C1=NC(=NC(=C1OCC)N1CCOCC1)C1=CC=C(C=C1)N>>C(C)OC(=O)C1=NC(=NC(=C1OCC)N1CCOCC1)C1=CC=C(C=C1)NC(=O)NCC | 5 |
C1(=CC=CC=C1)CN1CCC(CC1)=O.C1(=C(C=CC=C1)[Mg]Br)C.O1CCCC1>C1CCCO1>C(C1=CC=CC=C1)N1CCC(=CC1)C1=C(C=CC=C1)C | 3 |
[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:6]([C:7](O)=[O:8])=[CH:5][C:4]=1[C:12]([F:15])([F:14])[F:13].[Cl-:16].CN(C=O)C>C(Cl)(Cl)Cl>[CH3:1][O:2][C:3]1[CH:11]=[CH:10][C:6]([C:7]([Cl:16])=[O:8])=[CH:5][C:4]=1[C:12]([F:15])([F:14])[F:13] | 1 |
ClC1=C(C=CC(=C1F)I)F.CON(C(=O)C1=NC=C(N=C1)OCC(F)(F)F)C>C1CCCO1.[Cl-].[NH4+]>ClC=1C(=C(C=CC1F)C(=O)C1=NC=C(N=C1)OCC(F)(F)F)F | 3 |
C(C1=CC=CC=C1)OC1=C(C=C(C=C1)OCC1=CC=CC=C1)C(CCOC1=CC=CC=C1)C>CCO[H].Cl.[HH].C(C)(=O)OCC.[Pd]>OC1=C(C=C(C=C1)O)C(CCOC1=CC=CC=C1)C | 3 |
[Cl:1][C:2]1[C:10]([Cl:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=O.[F:12][C:13]1[CH:18]=[CH:17][C:16]([CH:19]([C:22]2[CH:23]=[N:24][C:25]([C:28]([F:31])([F:30])[F:29])=[CH:26][CH:27]=2)[CH2:20][NH2:21])=[CH:15][CH:14]=1>>[Cl:1][C:2]1[C:10]([Cl:11])=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([NH:21][CH2:20][CH:19]([C:16]1[CH:15... | 1 |
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