smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl.N[C:3]1[C:4](=[O:16])[O:5][C:6]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[CH:7][C:8]=1[OH:9].[C:17](O)(=O)[CH3:18].[CH:21](=O)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.[C:29]([BH3-])#[N:30].[Na+]>CN(C)C=O>[C:22]1([CH2:21][N:30]([CH2:29][C:18]2[CH:17]=[CH:7][CH:8]=[CH:3][CH:4]=2)[C:3]2[C:4](=[O:16])[O:5][... | 1 |
CC=1N(C=C(C1)C(C)=O)S(=O)(=O)C1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].BrBr>CC=1N(C=C(C1)C(CBr)=O)S(=O)(=O)C1=CC=CC=C1 | 3 |
C(C)N(C=1C=C(C(C=N[C@H]2[C@@H](CCCC2)N)=CC1)O)CC.OC1=C(C=O)C=CC(=C1)O>>C(C)N(C=1C=C(C(C=N[C@H]2[C@@H](CCCC2)N=CC=2C(O)=CC(=CC2)O)=CC1)O)CC | 5 |
C(OC([N:8]1[C:16]2[C:11](=[CH:12][C:13]([O:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=3)=[CH:14][CH:15]=2)[C:10]([C:25]2[N:26](C(OC(C)(C)C)=O)[C:27]3[C:32]([CH:33]=2)=[CH:31][C:30]([O:34][CH2:35][CH2:36][N:37]([CH2:40][CH3:41])[CH2:38][CH3:39])=[CH:29][CH:28]=3)=[N:9]1)=O)(C)(C)C.FC(F)(F)C(O)=O>ClCCl>[CH2:... | 1 |
[CH:1](=[C:8]([CH2:12][OH:13])[C:9]([OH:11])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.N.O.[H][H]>CO.[C].[Pd]>[OH:13][CH2:12][CH:8]([CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[C:9]([OH:11])=[O:10] | 1 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C@@H:6]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH2:7][C@H:8]2[OH:11])=[CH:4][CH:3]=1.C(OC=C)(=O)CCC>C(OC(C)C)(C)C>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C@H:6]([C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=3)[CH2:7][C@@H:8]2[OH:11])=[CH:4][CH:3]=1 | 2 |
[N+](=O)([O-])C1=CC=C(OCCC2=CC=CC(=N2)NC(OC(C)(C)C)=O)C=C1>>NC1=CC=C(OCCC2=CC=CC(=N2)NC(OC(C)(C)C)=O)C=C1 | 5 |
C(C)(C)C1=CC=C(C(=O)NCC(=O)C=2C=C(C(=O)OC)C=CC2)C=C1>>C(C)(C)C1=CC=C(C=C1)C=1OC(=CN1)C=1C=C(C(=O)OC)C=CC1 | 5 |
O=C1[N-]C(C2=CC=CC=C12)=O.[K+].ClCCCC/C=C/C1=C(N(C2=CC=C(C=C12)F)CCCOC1=CC=CC2=CC=CC=C12)C(=O)OCC>N(C)(C)C=O>O=C1N(C(C2=CC=CC=C12)=O)CCCC/C=C/C1=C(N(C2=CC=C(C=C12)F)CCCOC1=CC=CC2=CC=CC=C12)C(=O)OCC | 3 |
C(C)(=O)Cl.CN(C1=CC2=CC=C(C=C2C=C1)C#C[Si](C)(C)C)C>ClCCl.[Al](Cl)(Cl)Cl>CN(C=1C=C2C=CC(=CC2=CC1)C#CC(C)=O)C | 3 |
[Cl:1][CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[CH:11]=[CH:12][CH:13]=[C:14]([OH:15])[C:7]2=[N:6][C:5]=1[CH3:16].[H][H].[OH-].[Na+]>[Pd].C(O)(=O)C>[Cl:1][CH2:2][CH2:3][C:4]1[C:9](=[O:10])[N:8]2[CH2:11][CH2:12][CH2:13][CH:14]([OH:15])[C:7]2=[N:6][C:5]=1[CH3:16] | 2 |
BrC=1C=C(C(=CC1)N)N.O1C(CCCC1)N1N=CC=C1B1OC(C(O1)(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].C([O-])([O-])=O.[K+].[K+].COCCOC>O1C(CCCC1)N1N=CC=C1C=1C=C(C(=CC1)N)N | 3 |
FC(C=1C=C(C=CC1)O)(F)F>[N+](=O)(O)[O-].C(C)(=O)O>[N+](=O)([O-])C1=C(C=C(C=C1)C(F)(F)F)O | 3 |
[H-].[Na+].[CH2:3]([N:5]([C:8]1[CH:15]=[CH:14][C:11]([CH:12]=O)=[C:10]([OH:16])[CH:9]=1)[CH2:6][CH3:7])[CH3:4].Br[CH2:18][C:19]([O:21][CH3:22])=[O:20]>O1CCCC1>[CH2:3]([N:5]([C:8]1[CH:15]=[CH:14][C:11]2[CH:12]=[C:18]([C:19]([O:21][CH3:22])=[O:20])[O:16][C:10]=2[CH:9]=1)[CH2:6][CH3:7])[CH3:4] | 1 |
C(C)(=O)OC(C)=O.C(C)(=O)N1C(CC2=CC(=CC=C12)C(C)=O)=O>>C(C)(=O)N1C(C(C2=CC(=CC=C12)C(C)=O)=C(C1=CC=CC=C1)OCC)=O | 5 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[NH:11][C:10](=S)[CH2:9][N:8]=[C:7]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[C:6]=2[CH:19]=1.[C:20]([CH2:22][C:23]([NH:25][NH2:26])=O)#[N:21]>C(O)CCC>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:23]([CH2:22][C:20]#[N:21])=[N:25][N:26]=[C:10]3[CH2:9][N:8]=[C:7]([C:13]3[CH:18]=[CH:17][CH... | 1 |
ClCCCNC(=O)NCC(F)(F)F>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>FC(CN1C(NCCC1)=O)(F)F | 3 |
[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:15]=[C:14]([C:16]([NH:18][C:19]2[CH:20]=[N:21][CH:22]=[CH:23][CH:24]=2)=[O:17])[C:13]2[C:8](=[CH:9][CH:10]=[C:11](C3C=CC=CC=3)[CH:12]=2)[N:7]=1.[Li]CCCC.C([O:39][B:40](OC(C)C)[O:41]C(C)C)(C)C.CO.ClCCl>C1COCC1>[O:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:15]=[C:14]([C:16](=[O:17])[... | 1 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH:19]=[CH:20][C:21]=1[N+:22]([O-])=O)[NH:7][C:8](=[O:18])[C:9]1[CH:14]=[CH:13][C:12]([N:15]([CH3:17])[CH3:16])=[CH:11][CH:10]=1)([O-])=O.[CH3:25][N:26]([CH3:44])[C:27]1[CH:32]=[CH:31][C:30]([NH:33][C:34]([C:36]2[CH:43]=[CH:42][C:39]([CH:40]=O)=[CH:38][CH:37]=2)=[O:35])=[CH:29][CH:28]=1>>[CH3... | 1 |
[CH3:1][CH:2]([O:4][C:5]1[CH:13]=[CH:12][C:8]([C:9]([OH:11])=O)=[CH:7][C:6]=1[C:14]([F:17])([F:16])[F:15])[CH3:3].CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.O[NH:40][C:41](=[NH:58])[C:42]1[CH:43]=[C:44]2[C:48](=[CH:49][CH:50]=1)[N:47]([CH2:51][CH2:52][C:53]([O:55][CH2:56][CH3:57])=[O:54])[N:46]=[CH:45]2.C(=O)(O)[O-].[Na+]>CN... | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]([C:20]2[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][C:21]=2[CH3:27])[CH:9]([CH3:19])[C:10]([C:12]2[CH:17]=[CH:16][N:15]=[C:14]([CH3:18])[CH:13]=2)=O)=[CH:4][CH:3]=1.Cl.[NH2:29][OH:30].C(=O)([O-])O.[Na+]>>[Br:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]([C:20]2[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22... | 1 |
[CH:1]([C:4]1[CH:9]=[CH:8][C:7]([CH:10]2[C:14]3[C:15]([CH3:31])=[C:16]([O:21][CH2:22][CH:23]=[CH:24][C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)[C:17]([CH3:20])=[C:18]([CH3:19])[C:13]=3[O:12][C:11]2([CH3:33])[CH3:32])=[CH:6][CH:5]=1)([CH3:3])[CH3:2].[H][H]>C(O)C.[C].[Pd]>[CH:1]([C:4]1[CH:5]=[CH:6][C:7]([CH:10]2[C:14... | 1 |
NC1CCOCC1.C(C)OC(=O)C=1N=NC(=CC1)OCC=1C(=NOC1C)C1=NC=CC=C1>O1CCOCC1.C[Al](C)C>O1CCC(CC1)NC(=O)C=1N=NC(=CC1)OCC=1C(=NOC1C)C1=NC=CC=C1 | 3 |
N1(CCCC1)S(=O)(=O)C1=CC=C(C=C1)B(O)O.ClC1=C2C(=NC=C1)NC(=C2)C(F)(F)F>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>N1(CCCC1)S(=O)(=O)C1=CC=C(C=C1)C1=C2C(=NC=C1)NC(=C2)C(F)(F)F | 3 |
[CH3:1][O-].[Na+:3].CCO[C:7]([CH3:9])=[O:8].C(OC)=O.[C:14]([CH2:16][C:17]([NH:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[S:18])#[N:15]>CO.CCO>[C:14]([C:16]1[CH:1]=[CH:9][C:7](=[O:8])[N:19]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[C:17]=1[S-:18])#[N:15].[Na+:3] | 1 |
COC=1C=C(C=CC(=O)O)C=CC1>CCN(CC)CC.CC(=O)C.[N-]=[N+]=[N-].[Na+].ClC(=O)OCC>C1=NC=CC2=CC=CC=C12 | 3 |
FC1=CC=C(C=C1)I>C1CCCO1.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].O1C(=CC=C1)P(C=1OC=CC1)C=1OC=CC1>ClC=1C(C(=NN(C1C1=CC=C(C=C1)F)C1=C(C=CC(=C1)OC)Cl)C(=O)OCC)=O | 3 |
C(C1=CC=CC=C1)C=1C=C(C(=O)OC(C)(C)C)C=C(N1)C(NCC)=O>CC#N.C(C)OCC.ClCCl.C(=O)(C(F)(F)F)O>C(C1=CC=CC=C1)C=1C=C(C(=O)O)C=C(N1)C(NCC)=O | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].CON(C)[C:10](=[O:34])[C:11]1[CH:16]=[CH:15][C:14]([NH:17][C:18]2[NH:22][C:21](=[O:23])[N:20]([C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([C:30]([F:33])([F:32])[F:31])[CH:25]=3)[N:19]=2)=[CH:13][CH:12]=1>O1CCCC1>[O:23]=[C:21]1[N:20]([C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([C:30]([F:32])([F:31])[F:... | 2 |
ClC1=NC=C(C(=O)O)C=C1.C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C>>C(C)(C)(C)OC(=O)N1CCC(=CC1)C1=NC=C(C(=O)O)C=C1 | 5 |
[CH2:1]([CH:3]([NH:6][C:7](=[O:40])[NH:8][C:9]1[CH:37]=[CH:36][C:12]([O:13][C:14]2[CH:19]=[CH:18][C:17]([NH:20][C:21](=[O:35])[C:22]3[CH:27]=[CH:26][C:25]([O:28][CH:29]4[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]4)=[CH:24][CH:23]=3)=[CH:16][CH:15]=2)=[C:11]([O:38][CH3:39])[CH:10]=1)[CH2:4][CH3:5])[CH3:2].CCN(C(C)C)C(C)C.[O... | 2 |
Cl.[Cl:2][C:3]1[NH:7][C:6]([C:8]2[CH:13]=[CH:12][C:11]([NH:14][C:15](=[O:57])[C@@H:16]([NH:39][C:40]([C@H:42]3[CH2:47][CH2:46][C@H:45]([CH2:48][NH:49]C(=O)OC(C)(C)C)[CH2:44][CH2:43]3)=[O:41])[CH2:17][C:18]3[CH:19]=[C:20]([C:24]4[CH:29]=[CH:28][C:27]([C:30]([N:32]5[CH2:37][CH2:36][N:35]([CH3:38])[CH2:34][CH2:33]5)=[O:31... | 2 |
[Cl:1][C:2]1[CH:14]=[CH:13][C:5]([CH2:6][S:7][CH:8]([CH2:11][OH:12])[CH2:9][OH:10])=[CH:4][CH:3]=1.[F:15][C:16]([F:29])([F:28])[C:17]1[CH:27]=[CH:26][C:20](/[CH:21]=[C:22](\[CH3:25])/[CH:23]=O)=[CH:19][CH:18]=1>C1C=CC=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][S:7][C@@H:8]2[CH2:11][O:12][C@@... | 1 |
Cl.NCCNC(C1=CC=C(C=C1)OCC)=O.FC1=CC=C(C=C1)N1N=C(C(=C1)C(=O)O)C(F)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>C(C)OC1=CC=C(C(=O)NCCNC(=O)C=2C(=NN(C2)C2=CC=C(C=C2)F)C(F)(F)F)C=C1 | 3 |
C(C=C)Br.O[C@H]([C@@H](C(=O)O)C)[C@@H](C[C@@H](C[C@@H](CC)C)C)C>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>O[C@H]([C@@H](C(=O)OCC=C)C)[C@@H](C[C@@H](C[C@@H](CC)C)C)C | 3 |
F[C:2]1[CH:10]=[CH:9][C:8]([N+:11]([O-:13])=[O:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[NH2:14][C@H:15]1[CH2:20][CH2:19][C@H:18]([OH:21])[CH2:17][CH2:16]1>N1C=CC=CC=1>[OH:21][C@H:18]1[CH2:19][CH2:20][C@H:15]([NH:14][C:2]2[CH:10]=[CH:9][C:8]([N+:11]([O-:13])=[O:12])=[CH:7][C:3]=2[C:4]([OH:6])=[O:5])[CH2:16][CH2:17]1 | 1 |
[N:1]([C@H:4]1[C:13]2[C:8](=[CH:9][C:10]([CH2:14][OH:15])=[CH:11][CH:12]=2)[O:7][CH2:6][CH2:5]1)=[N+:2]=[N-:3]>C(Cl)Cl.[O-2].[O-2].[Mn+4]>[N:1]([C@H:4]1[C:13]2[C:8](=[CH:9][C:10]([CH:14]=[O:15])=[CH:11][CH:12]=2)[O:7][CH2:6][CH2:5]1)=[N+:2]=[N-:3] | 1 |
C(C)(C)(C)[Si](C)(C)Cl.COCOC=1C=C(C=CC1)CO>>CC(C)(C)[Si](OCC1=CC(=CC=C1)OCOC)(C)C | 5 |
[OH-].[Na+].C[O:4][C:5](=[O:19])[CH2:6][NH:7][C:8](=[O:18])/[CH:9]=[CH:10]/[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[F:17]>O.C(O)C>[F:17][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=1/[CH:10]=[CH:9]/[C:8]([NH:7][CH2:6][C:5]([OH:19])=[O:4])=[O:18] | 1 |
C(O)(=O)C.[Cl:5][C:6]1[CH:11]=[CH:10][C:9]([CH:12]=[C:13]([CH3:19])[C:14]([O:16][CH2:17][CH3:18])=[O:15])=[C:8]([N+:20]([O-])=O)[CH:7]=1.O>[Fe].CCCCCC.C(OCC)(=O)C>[NH2:20][C:8]1[CH:7]=[C:6]([Cl:5])[CH:11]=[CH:10][C:9]=1[CH:12]=[C:13]([CH3:19])[C:14]([O:16][CH2:17][CH3:18])=[O:15] | 1 |
[CH2:1]([N:3]1[CH2:7][CH2:6][C@H:5]([C:8]([NH:10][CH2:11][C:12]2[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=2[S:19]([NH:22][C:23]2[C:32]([C:33]([O:35]C)=[O:34])=[C:31]3[C:26]([CH:27]4[CH2:37][CH:28]4[CH2:29][O:30]3)=[CH:25][CH:24]=2)(=[O:21])=[O:20])=[O:9])[CH2:4]1)[CH3:2].O.[OH-].[Li+].O>O1CCOCC1>[CH2:1]([N:3]1[CH2:7]... | 1 |
Cl.ClC1=C(C=CC(=C1)Cl)NN.ClC1=NC(=CC=C1C=O)Cl>CCO[H]>ClC1=NC(=CC=C1/C=N/NC1=C(C=C(C=C1)Cl)Cl)Cl | 3 |
COC(=O)C1N(C=C(C1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C.ClC1=NC=NC(=C1)C1=CC(=C(C=C1)OC(C)C)Cl>C1CCCO1.[Cl-].[Li+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C[Sn]([Sn](C)(C)C)(C)C>COC(=O)C1N(C=C(C1)C1=NC=NC(=C1)C1=CC(=C(C=C1)OC(C)C... | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([NH:17][C:18]([C:20]2[C:21]([C:27]3[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][CH:28]=3)=[CH:22][C:23]([CH3:26])=[CH:24][CH:25]=2)=[O:19])[CH:5]=[CH:6][C:7]=1[O:8][CH2:9][CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=1.[C:37](OC(=O)C)(=[O:39])[CH3:38].O.C(=O)([O-])[O-].[K+... | 2 |
[CH3:1][CH:2]([CH3:9])[CH2:3][CH2:4][S:5](Cl)(=[O:7])=[O:6].[C:10]([C:12]1[C:13]([C:32]([NH:34][N:35]2[CH2:40][CH2:39][CH2:38][CH2:37][CH2:36]2)=[O:33])=[N:14][N:15]([C:24]2[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][C:25]=2[Cl:31])[C:16]=1[C:17]1[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=1)#[N:11].O>C(Cl)Cl>[CH3:1][CH:2... | 2 |
NC1=C(C=CC=C1)O.Cl.ClC1=NC=CC=C1C(=O)Cl>C1CCCO1.CCN(CC)CC>ClC1=C(C(=O)NC2=C(C=CC=C2)O)C=CC=N1 | 3 |
[B:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8]([OH:10])=O)=[CH:6][CH:5]=1)([OH:3])[OH:2].C(N(CC)CC)C.[CH2:20]([NH2:26])[CH2:21][CH2:22][CH2:23][CH2:24][CH3:25].Cl>CN(C)C=O.ClCCl.O>[CH2:20]([NH:26][C:8]([C:7]1[CH:6]=[CH:5][C:4]([B:1]([OH:2])[OH:3])=[CH:12][CH:11]=1)=[O:10])[CH2:21][CH2:22][CH2:23][CH2:24][CH3:25] | 2 |
C(C)C1(CC=2C(=C(N=C3C2C=2N=CNC(C2S3)=O)N3CCOCC3)CO1)C>P(=O)(Cl)(Cl)Cl>ClC1=C2C(=NC=N1)C=1C(S2)=NC(=C2C1CC(OC2)(C)CC)N2CCOCC2 | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([N+:16]([O-])=O)[CH:5]=[C:6]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([CH3:15])[N:10]=2)[N+:7]=1[O-].[BH4-].[Na+]>CO.[Pd]>[NH2:16][C:4]1[CH:3]=[C:2]([CH3:1])[N:7]=[C:6]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([CH3:15])[N:10]=2)[CH:5]=1 | 1 |
C1(CC1)C1=CC(=NC(=N1)C1=CN(C2=CC=C(C=C12)C=1OC(=NN1)NC(C)C)S(=O)(=O)C1=CC=C(C)C=C1)C(=O)OC>[OH-].[Na+].O1CCOCC1>C1(CC1)C1=CC(=NC(=N1)C1=CNC2=CC=C(C=C12)C=1OC(=NN1)NC(C)C)C(=O)O | 3 |
C(CC)[Mg]Cl.C(#N)C(C(=O)O)=CC(C)C>>COC(C(C(CCC)C(C)C)C#N)=O | 5 |
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:25]([C:29]1[S:30][CH:31]=[C:32]([C:34]([OH:36])=O)[N:33]=1)([CH3:28])([CH3:27])[CH3:26].[Si:37]([O:44][CH2:45][CH2:46][C:47]1[CH:48]=[C:49]([CH2:52][N:53]2[CH2:63][CH2:62][C:56]3([O:61][CH2:60][CH2:59][NH:58][CH2:57]3)[CH2:55][CH2:54]2)[S:50][CH:51]=1)([C:40]([C... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC(C(=O)O)C1=CC=C(C=C1)Cl>O.C1CCCO1.[OH-].[Na+]>C(C)(C)(C)OC(=O)NC(C(=O)O)C1=CC=C(C=C1)Cl | 3 |
C[C@H]1N(CCC1)C=1C(NC2=CC=C(C=C2N1)C(=O)OC)=O>>C[C@H]1N(CCC1)C=1C(=NC2=CC=C(C=C2N1)C(=O)OC)OS(=O)(=O)C(F)(F)F | 5 |
[C:1]([CH2:3][C:4]1[C:12]2[C:7](=[N:8][CH:9]=[CH:10][CH:11]=2)[NH:6][CH:5]=1)#[N:2].S(Cl)([Cl:16])(=O)=O>C(O)(=O)C>[Cl:16][C:5]1[NH:6][C:7]2=[N:8][CH:9]=[CH:10][CH:11]=[C:12]2[C:4]=1[CH2:3][C:1]#[N:2] | 1 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([S:8][C:9]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[N:12](C(OC(C)(C)C)=O)/[C:11](=[C:26]3/[C:27]([CH:39]([CH3:41])[CH3:40])=[N:28][N:29](C(OC(C)(C)C)=O)[C:30]/3=[O:31])/[CH:10]=2)=[CH:4][CH:3]=1.[CH2:42]([S:44](Cl)(=[O:46])=[O:45])[CH3:43]>>[CH:39]([C:27]1=[N:28][NH:29][C:30](=[O:... | 1 |
Cl.[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([C:15]([N:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)=[O:16])=[C:11]([F:23])[CH:10]=2)=[C:5]([F:24])[CH:4]=1.[OH:25][C:26]1([C:29](O)=[O:30])[CH2:28][CH2:27]1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>O.CN(C)C=O>[Cl:2][C:3]1[CH... | 2 |
Cl[C:2]1[C:7]([C:8]2[N:13]=[CH:12][N:11]=[C:10]([NH:14][CH3:15])[CH:9]=2)=[CH:6][CH:5]=[CH:4][N:3]=1.[OH:16][C:17]1[CH:18]=[C:19]([CH:33]=[CH:34][C:35]=1[CH3:36])[C:20]([NH:22][C:23]1[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:31])[F:30])[CH:24]=1)=[O:21].C([O-])([O-])=O.[Cs+].[Cs+].CS(C)=O>O>[CH3:36][C:35]1[CH:34]... | 1 |
C([Si](C)(C)[O:6][C:7]1[CH:8]=[C:9]2[C:14](=[CH:15][CH:16]=1)[N:13]=[C:12]([N:17]([CH2:20][CH3:21])[CH2:18][CH3:19])[N:11]([NH:22][C:23](=[O:33])[CH2:24][C:25]1[CH:30]=[C:29]([F:31])[CH:28]=[C:27]([F:32])[CH:26]=1)[C:10]2=[O:34])(C)(C)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC>C1COCC1>[CH2:20]([N:17]([CH2:18][CH3:19])[C:12]1[N:... | 1 |
FC(C1=NN(C=C1[N+](=O)[O-])C1CCC(CC1)CO)F>>CS(=O)(=O)OCC1CCC(CC1)N1N=C(C(=C1)[N+](=O)[O-])C(F)F | 5 |
C1COCCN1.BrCCOC=1C=C(C(=O)NC2=CC(=C(C=C2)Cl)C2=NC=CC=C2)C=CC1CS(=O)(=O)C>>ClC1=C(C=C(C=C1)NC(C1=CC(=C(C=C1)CS(=O)(=O)C)OCCN1CCOCC1)=O)C1=NC=CC=C1 | 5 |
ClC1=NC=CC(=C1Cl)I.CN1C=C(C=2C1=NC(=CC2)B2OC(C(O2)(C)C)(C)C)C=O>O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].[Pd](Cl)Cl.C(C)(C)(C)P([C-]1C=CC=C1)C(C)(C)C.[C-]1(C=CC=C1)P(C(C)(C)C)C(C)(C)C.[Fe+2]>ClC1=NC=CC(=C1Cl)C1=CC=C2C(=N1)N(C=C2C=O)C | 3 |
C(C)(=O)C=1C=CC(=C(C(=O)NC2=NC=C(C=C2)Cl)C1)NC(=O)C1CCN(CC1)C(C)C>CO[H].Cl.NO.C(C)(=O)[O-].[Na+]>ClC=1C=CC(=NC1)NC(C1=C(C=CC(=C1)C(C)NO)NC(=O)C1CCN(CC1)C(C)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[CH:9]1[CH2:14][C:13](=[O:15])[CH2:12][C:11](=[O:16])[CH2:10]1.[C:17](O)(=[O:19])[CH3:18].CN(C1C=CC=CN=1)C.C1(N=C=NC2CCCCC2)CCCCC1>CN(C)C=O>[C:17]([CH:12]1[C:11](=[O:16])[CH2:10][CH:9]([C:4]2[CH:5]=[CH:6][CH:7]=[CH:8][C:3]=2[O:2][CH3:1])[CH2:14][C:13]1=[O:15])(=[O:19])... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][C:11]=1[C:12]([OH:14])=O)[N:8]=[CH:7][N:6]=[C:5]2[NH:15][CH:16]([C:18]1[NH:22][C:21]2[CH:23]=[CH:24][C:25]([Cl:27])=[CH:26][C:20]=2[N:19]=1)[CH3:17].FC1C(OC(N(C)C)=[N+](C)C)=C(F)C(F)=C(F)C=1F.F[P-](F)(F)(F)(F)F.C(N(C(C)C)CC)(C)C.[F:63][C:64]([F:72])([F:71])[CH:65]1[CH2:70][CH2:69... | 1 |
ONC(C1=CC=C(C=C1)CO)=N.C(C(C)C)N1N=CC(=C1COC)C(=O)OC>C1CCCO1.[H-].[Na+]>C(C(C)C)N1N=CC(=C1COC)C1=NC(=NO1)C1=CC=C(C=C1)CO | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[NH:7][C:8]([C:10]1[N:11]([CH3:22])[S:12](=[O:21])(=[O:20])[C:13]2[CH:19]=[CH:18][S:17][C:14]=2[C:15]=1[OH:16])=[O:9].C(N(CC)CC)C.[C:30](Cl)([Cl:32])=[O:31]>C1(C)C=CC=CC=1>[ClH:32].[CH3:22][N:11]1[C:10]2[C:8](=[O:9])[N:7]([C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=3)[C:30](=[O:31])[O:1... | 1 |
[ClH:1].[F:2][CH2:3][CH2:4][O:5][C:6]1[C:11]2[CH2:12][O:13][C@:14]3([CH3:26])[C@H:18]([C:10]=2[CH:9]=[CH:8][CH:7]=1)[CH2:17][N:16](C(OC(C)(C)C)=O)[CH2:15]3.CO>O1CCOCC1>[ClH:1].[F:2][CH2:3][CH2:4][O:5][C:6]1[C:11]2[CH2:12][O:13][C@:14]3([CH3:26])[C@H:18]([C:10]=2[CH:9]=[CH:8][CH:7]=1)[CH2:17][NH:16][CH2:15]3 | 2 |
C1(=CC=CC=C1)C(=O)C1=CC=2C(=CN=CC2)N1.NOCC(=O)N>CCO[H].Cl>C1(=CC=CC=C1)C(C1=CC=2C(=CN=CC2)N1)=NOCC(=O)N | 3 |
[C:1]([Si:5]([CH3:14])([CH3:13])[O:6][C@@H:7]1[CH2:11][CH2:10][C@H:9]([OH:12])[CH2:8]1)([CH3:4])([CH3:3])[CH3:2].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O.[C:46](O)(=[S:48])[CH3:47]>C1COCC1>[C:1]([Si:5]([CH3:14])([CH3:13])[O:6][C@H:7]1[CH2:11][CH2:10][C@H:9]([O:12][C:46](=[S:48])[CH3:47])[CH2:8]1)([C... | 1 |
[S:1](Cl)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2].[OH:12][CH2:13][CH2:14][O:15][CH:16]1[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[CH2:17]1>C(Cl)Cl.C1COCC1.CN(C1C=CN=CC=1)C>[S:1]([O:12][CH2:13][CH2:14][O:15][CH:16]1[CH2:20][CH2:19][N:18]([C:21]([O:23][C:24]([... | 2 |
Cl.CON.C(C)C1=CC=C(C=C1)CC(=O)Cl>>C(C)C1=CC=C(C=C1)CC(=O)NOC | 5 |
ClCCC(=O)C1=CC=C(C=C1)Cl.N1(CCNCC1)C1=CC=C(C=N1)O>>ClC1=CC=C(C=C1)C(CCN1CCN(CC1)C1=NC=C(C=C1)OC)=O | 5 |
BrC1=NC=C(C=C1)C12C=CCN(CC1)C2.Br.BrC1=NC=C(C=C1)C12CCCN(CC1)C2>>BrC1=NC=C(C=C1)C12CCCN(CC1)C2 | 5 |
[Cl:1][C:2]1[N:10](CC=C)[C:9]2[C:8](=[O:14])[N:7]([CH2:15][CH2:16][CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([O:24][CH3:25])[CH:19]=3)[C:6](=[O:26])[N:5]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[C:4]=2[N:3]=1>C1COCC1>[Cl:1][C:2]1[NH:10][C:9]2[C:8](=[O:14])[N:7]([CH2:15][CH2:16][CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[... | 2 |
CI.C(=O)(OC(C)(C)C)N1C[C@@H](CC1)CO>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>COC[C@H]1CN(CC1)C(=O)OC(C)(C)C | 3 |
C([N:14]1[CH2:17][CH:16]([O:18][CH3:19])[CH2:15]1)(C1C=CC=CC=1)C1C=CC=CC=1.FC(F)(F)C(O)=O.C(N(CC)CC)C.[Cl:34][C:35]1[CH:40]=[CH:39][N:38]=[C:37]2[CH:41]=[C:42]([C:44](Cl)=[O:45])[S:43][C:36]=12>C(Cl)Cl.[Pd].CCO>[Cl:34][C:35]1[CH:40]=[CH:39][N:38]=[C:37]2[CH:41]=[C:42]([C:44]([N:14]3[CH2:17][CH:16]([O:18][CH3:19])[CH2:1... | 1 |
C1COCCN1.C(C)OC(=O)N1[C@@H](C[C@@H](C2=NC(=CC=C12)OC)NC1=NC(=CN=C1CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)Cl)CC>C(C)(C)N(C(C)C)CC.CN1C(N(CC1)C)=O>C(C)OC(=O)N1[C@@H](C[C@@H](C2=NC(=CC=C12)OC)NC1=NC(=CN=C1CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N1CCOCC1)CC | 3 |
[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][OH:7].C(N(CC)CC)C.N1C=CC=CC=1.[C:21]1([CH3:31])[CH:26]=[CH:25][C:24]([S:27](Cl)(=[O:29])=[O:28])=[CH:23][CH:22]=1>ClCCl>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][O:7][S:27]([C:24]1[CH:25]=[CH:26][C:21]([CH3:31])=[CH:22][CH:23]=1)(=[O:29])=[O:28] | 2 |
C[Si](Cl)(C)C.[I-].[Na+].[F:8][C:9]1[CH:10]=[CH:11][C:12]([C@@H:15]([NH:17][C:18]2[C:23]([CH3:24])=[CH:22][N:21]=[C:20]([NH:25][C:26]3[C:27]([O:32]C)=[N:28][CH:29]=[CH:30][CH:31]=3)[N:19]=2)[CH3:16])=[N:13][CH:14]=1>C(#N)C>[F:8][C:9]1[CH:10]=[CH:11][C:12]([C@@H:15]([NH:17][C:18]2[C:23]([CH3:24])=[CH:22][N:21]=[C:20]([N... | 1 |
C1(CCCC1)C(CCC(=O)O)C>>C1(CCCC1)C(CCCO)C | 5 |
[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([N:11]3[CH:15]=[C:14]([C:16]([O:18]CC)=[O:17])[N:13]=[C:12]3[C:21]3[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][CH:22]=3)=[CH:10][C:5]=2[O:4][CH2:3][CH2:2]1.[OH-].[Na+].Cl>O1CCCC1.O.CO>[O:1]1[C:6]2[CH:7]=[CH:8][C:9]([N:11]3[CH:15]=[C:14]([C:16]([OH:18])=[O:17])[N:13]=[C:12]3[C:21]3[CH:26]=[CH:... | 1 |
BrC1=CC(=C(S1)C(=O)OC)NC(C(F)(F)F)=O.CC1(OB(OC1(C)C)C1=CC=C(C=C1)C1=NN2C(N=CC=C2)=C1)C>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC(=O)C=1SC(=CC1NCC1=CC=C(C=C1)C)C1=CC=C(C=C1)C1=NN2C(N=CC... | 3 |
[CH3:1][C@@:2]1([CH2:16][CH2:17]O)[CH2:11][CH2:10][C:9]2[C:4](=[C:5]([CH3:15])[C:6]([CH3:14])=[C:7]([OH:13])[C:8]=2[CH3:12])[O:3]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(Cl)(Cl)(Cl)[Cl:39]>>[CH3:1][C@@:2]1([CH2:16][CH2:17][Cl:39])[CH2:11][CH2:10][C:9]2[C:4](=[C:5]([CH3:15])[C:6]([CH3:14])=[C:7]([OH:13])[C:8]=2[CH3:12... | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:22]C(C)=O)[CH:5]=[C:6]([C:18]([F:21])([F:20])[F:19])[C:7]=1[O:8][C:9]([F:17])([F:16])[CH:10]([F:15])[C:11]([F:14])([F:13])[F:12]>Cl.C(O)C>[Cl:1][C:2]1[CH:3]=[C:4]([CH:5]=[C:6]([C:18]([F:19])([F:20])[F:21])[C:7]=1[O:8][C:9]([F:16])([F:17])[CH:10]([F:15])[C:11]([F:14])([F:13])[F:12])[NH2:22] | 1 |
[CH3:1][N:2]1[C:6](=O)[CH:5]=[C:4]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[NH:3]1.P(Cl)(Cl)([Cl:16])=O>>[Cl:16][C:6]1[N:2]([CH3:1])[N:3]=[C:4]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:5]=1 | 1 |
[NH:1]1[CH2:6][CH2:5][CH:4]([CH:7]([CH2:11][S:12][C:13](=[O:15])[CH3:14])[C:8]([OH:10])=[O:9])[CH2:3][CH2:2]1.[CH3:16][C:17]([O:20][C:21]([NH:23][CH2:24][C:25](ON1C(=O)CCC1=O)=[O:26])=[O:22])([CH3:19])[CH3:18]>O1CCOCC1>[C:17]([O:20][C:21]([NH:23][CH2:24][C:25]([N:1]1[CH2:2][CH2:3][CH:4]([CH:7]([CH2:11][S:12][C:13](=[O:... | 1 |
BrC1=CC=C(C=C1)C1=CC=CC=C1>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>C1(=CC=CC=C1)C=1C(=CC=CC1)C=1C(=CC=CC1)C1=CC=CC=C1 | 3 |
C([C@@H](O)C1=CC=CC=C1)(=O)OC.C\C(=C/CC(=O)O)\CC\C=C(\CCC=C(C)C)/C>C1(=CC=NC=C1)N(C)C.CO[H].O(C(C)(C)C)C.C1(CCCCC1)N=C=NC1CCCCC1>COC(=O)[C@H](C1=CC=CC=C1)OC(C\C=C(\CC\C=C(\CCC=C(C)C)/C)/C)=O | 3 |
CN(C1CCN(CC1)CCN1N=C(C=2C1=NC=NC2N)I)C.C(C1=CC=CC=C1)NC1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)OC>O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].O1CCOCC1>C(C1=CC=CC=C1)NC1=C(C=C(C=C1)C1=NN(C2=NC=NC(=C21)N)CCN2CCC(CC2)N(C)C)OC | 3 |
ClC(=O)OC.ClC1=C(C=CC(=C1)F)N1C(=CC=C1C)C>O.C1CCCO1.C(CCC)[Li].[Cl-].[NH4+]>ClC1=C(C(=O)OC)C(=CC=C1N1C(=CC=C1C)C)F | 3 |
NC1=NC=CC2=C(C=CC=C12)C=1C=C2C(=NN(C2=C(C1)C#N)C1OCCCC1)COC1=C(C=CC=C1)CC(=O)O>[Na+].[BH4-].CCO[H].O.O.O.O.O.O.[Ni](Cl)Cl.NCCNCCN>NC1=NC=CC2=C(C=CC=C12)C=1C=C2C(=NN(C2=C(C1)CN)C1OCCCC1)COC1=C(C=CC=C1)CC(=O)O | 3 |
[C-]#N.[Na+].ClC=1C=C(C=CC1Cl)C1C(CN(CCO1)C(=O)OC(C)(C)C)COS(=O)(=O)C>>C(#N)CC1CN(CCOC1C1=CC(=C(C=C1)Cl)Cl)C(=O)OC(C)(C)C | 5 |
C1(CCCCC1)C(=O)Cl.CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/C)/C)C>c1ccncc1.CCCCCC>C1(CCCCC1)C(=O)OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCC=C(CCCCCCCCCCCCCCCCCCCCCCCCC)C)C)C)C)C)C)C)C)C | 3 |
CC1=C(C=CC=2C=COC21)C(=O)OC>>CC1=C(C=CC=2C=COC21)C(=O)O | 5 |
C(C)(C)(C)[Si](C)(C)Cl.FC=1C=C2C=C(C=C(C2=CC1)O)O>O.c1cnc[nH]1.ClCCl>[Si](C)(C)(C(C)(C)C)OC1=CC(=CC2=CC(=CC=C12)F)O | 3 |
F[C@H]1CN(CC[C@H]1O)C(=O)OC(C)(C)C.ClC1=C2C(=NC(=N1)Cl)NN=C2C>O.C1CCCO1.[H-].[Na+]>ClC1=NC(=C2C(=N1)NN=C2C)O[C@H]2[C@H](CN(CC2)C(=O)OC(C)(C)C)F | 3 |
BrC1=C(C=C(C=C1)C)O>CC#N.[Mg+2].[Cl-].[Cl-].CCN(CC)CC>BrC=1C(=C(C=O)C(=CC1)C)O | 3 |
[CH:1]([C:4]1[CH:5]=[CH:6][C:7]([O:22][CH3:23])=[C:8]([C:10]2[C:11]([CH:20]=O)=[CH:12][C:13]([C:16]([F:19])([F:18])[F:17])=[CH:14][CH:15]=2)[CH:9]=1)([CH3:3])[CH3:2].Cl.NO.[N:27]1C=CC=CC=1.C(OCC)(=O)C>C(O)C>[CH:1]([C:4]1[CH:5]=[CH:6][C:7]([O:22][CH3:23])=[C:8]([C:10]2[CH:15]=[CH:14][C:13]([C:16]([F:19])([F:18])[F:17])=... | 1 |
Cl[C:2]1[N:11]=[C:10]([OH:12])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.[NH2:13][C:14]1[C:19]2[CH2:20][C:21]([CH3:24])([CH3:23])[O:22][C:18]=2[C:17]([C:25]([NH:27][CH:28]2[CH2:33][CH2:32][N:31]([CH2:34][CH2:35][CH2:36][NH2:37])[CH2:30][CH2:29]2)=[O:26])=[CH:16][C:15]=1[Cl:38].[O-2].[Ca+2]>ClCCl.CO>[NH2:13][C:14]... | 1 |
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