smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.[CH3:9][N:10]([CH3:14])[C:11](Cl)=[O:12]>O1CCCC1>[OH:8][C:4]1[CH:3]=[C:2]([NH:1][C:11]([N:10]([CH3:14])[CH3:9])=[O:12])[CH:7]=[CH:6][CH:5]=1 | 1 |
FC1=C(C=CC(=C1)OCC1CCN(CC1)CC(C)(C)F)C1=CC(=C(C=C1)C(=O)OCC)F>O.C1CCCO1.O[Li].O>FC1=C(C=CC(=C1)OCC1CCN(CC1)CC(C)(C)F)C1=CC(=C(C=C1)C(=O)O)F | 3 |
[C-]#N.[Na+].BrC=1OC2=C(C1C(C1=CC(=C(C(=C1)OC)OC)OC)=O)C=CC(=C2OC(C)=O)OC>>C(#N)C1=C(C2=C(O1)C(=C(C=C2)OC)O)C(C2=CC(=C(C(=C2)OC)OC)OC)=O | 5 |
CN(CCNC1=C(C=CC=C1)[N+](=O)[O-])C>C(Cl)(Cl)(Cl)[H].ClC(=O)OCC>[N+](=O)([O-])C1=C(C=CC=C1)N(CCN(C)C)C(=O)OCC | 3 |
ClC(=O)OCC1=CC=CC=C1.BrC1=CC(=C(C=C1)N1CCNCC1)C>O.ClCCl.CCN(CC)CC>BrC1=CC(=C(C=C1)N1CCN(CC1)C(=O)OCC1=CC=CC=C1)C | 3 |
BrCC(=O)N(C=1C=NC(=CC1)OC)C(C)C.C1(CCCCC1)C1=NN=C2CC(NC3=C(N12)C=CC=C3)=O>N(C)(C)C=O.[H-].[Na+]>C1(CCCCC1)C1=NN=C2CC(N(C3=C(N12)C=CC=C3)CC(=O)N(C=3C=NC(=CC3)OC)C(C)C)=O | 3 |
N1C[C@H](CC1)O.ClC1=C(C=CC=C1NC(=O)C=1N(C2=C(CN(CC2)C[C@H]2CC[C@H](CC2)C(=O)OC)N1)C)C1=C(C(=CC=C1)NC=1N=CC=C2C=C(C=NC12)C=O)C>CO[H].ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC1=C(C=CC=C1NC(=O)C=1N(C2=C(CN(CC2)C[C@H]2CC[C@H](CC2)C(=O)O)N1)C)C1=C(C(=CC=C1)NC=1N=CC=C2C=C(C=NC12)CN1C[C@H](CC1)O)C | 3 |
ClC=1C=C2C(=CN1)N(C(=C2)C2=C(C=CC=C2)OC)C>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].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].[Cl-].[NH4+]>COC1=C(C=CC=C1)C1=CC=2C(=CN=C(C2)N)N1C | 3 |
O1C(C=CCC1)=O>>C(C)N(C1CC(=O)OCC1)CC | 5 |
[N+:1]([C:4]1[CH:13]=[CH:12][C:7]([CH2:8][N:9]([CH3:11])[CH3:10])=[CH:6][CH:5]=1)([O-])=O>CO.[Pd]>[NH2:1][C:4]1[CH:5]=[CH:6][C:7]([CH2:8][N:9]([CH3:11])[CH3:10])=[CH:12][CH:13]=1 | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@@H](CO)CC1=CC=CC=C1.C(C1=CC=CC=C1)ONC(C=C)=O>>C(C)(C)(C)OC(N([C@H](CC1=CC=CC=C1)CO)CCC(NOCC1=CC=CC=C1)=O)=O | 5 |
NC1=NC=CC(=C1[N+](=O)[O-])C=1C=NN(C1)C1=CC=C(C=N1)C(C#N)N1CCS(CC1)(=O)=O>[Fe].CCO[H].[Cl-].[NH4+]>NC1=NC=CC(=C1N)C=1C=NN(C1)C1=CC=C(C=N1)C(C#N)N1CCS(CC1)(=O)=O | 3 |
N1CCSCC1.FC=1C=C(C=C(C1F)F)[N+](=O)[O-]>>FC1=C(C(=CC(=C1)[N+](=O)[O-])F)N1CCSCC1 | 5 |
[NH2:1][C:2]1[CH:9]=[CH:8][C:7]([Cl:10])=[CH:6][C:3]=1[CH:4]=O.C(=O)([O-])[O-].[K+].[K+].[F:17][C:18]([F:27])([F:26])/[CH:19]=[CH:20]/[C:21]([O:23]CC)=[O:22]>CN(C)C=O>[Cl:10][C:7]1[CH:6]=[C:3]2[C:2](=[CH:9][CH:8]=1)[NH:1][CH:19]([C:18]([F:27])([F:26])[F:17])[C:20]([C:21]([OH:23])=[O:22])=[CH:4]2 | 2 |
F[B-](F)(F)F.[O:6]=[N+:7]=[O:8].N1C(C)=CC(C)=CC=1C.[OH:18][CH2:19][CH2:20][NH:21][C:22]([C@@H:24]1[CH2:28][S:27][C:26](=[O:29])[NH:25]1)=[O:23]>C(#N)C>[N+:7]([O:18][CH2:19][CH2:20][NH:21][C:22]([C@@H:24]1[CH2:28][S:27][C:26](=[O:29])[NH:25]1)=[O:23])([O-:8])=[O:6] | 1 |
COC(=O)C=1C=C(C=C2C(C(C(NC12)C1=CC(=CC=C1)Br)(C)C)O)Cl>>COC(=O)C=1C=C(C=C2CC(C(NC12)C1=CC(=CC=C1)Br)(C)C)Cl | 5 |
NC1CCOCC1.ClC1=NC=C(C(=N1)C1=CC=C2CN(C(C2=C1)=O)CCNC(CO)(C)C1=CC=CC=C1)Cl>>ClC=1C(=NC(=NC1)NC1CCOCC1)C1=CC=C2CN(C(C2=C1)=O)CCNC(CO)(C)C1=CC=CC=C1 | 5 |
Cl.C([N:9]1[CH:14]([CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH:13]2[CH2:22][CH:23]([C:24](OCC)=[O:25])[CH:10]1[CH:11]=[C:12]2[CH3:29])C1C=CC=CC=1.C(C1C2CC(C(OCC)=O)C(C=C2C)N1)C1C=CC=CC=1>>[CH2:15]([CH:14]1[NH:9][C:24](=[O:25])[CH:23]2[CH2:22][CH:13]1[C:12](=[CH2:29])[CH:11]=[CH:10]2)[C:16]1[CH:21]=[CH:20... | 1 |
[NH2:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][S:10]([CH3:13])(=[O:12])=[O:11])=[C:5]([CH:14]=[CH2:15])[CH:4]=1.C(N(CC)CC)C.[C:23]([C:27]1[CH:32]=[CH:31][C:30]([CH2:33][CH2:34][C:35](O)=[O:36])=[CH:29][CH:28]=1)([CH3:26])([CH3:25])[CH3:24].C[N+]1(C2N=C(OC)N=C(OC)N=2)CCOCC1.[Cl-]>C(Cl)Cl>[C:23]([C:27]1[CH:28]=[CH:29][C:3... | 1 |
C(C)OC(=O)N1CCC(CC1)NC1=NC=CC=N1>>Br.Br.N1CCC(CC1)NC1=NC=CC=N1 | 5 |
BrC1=CC2=C(SC=C2)C=C1.CN1CC2=CC=CC=C2C(C1)=O>C(C)(C)(C)[Li]>BrC1=CC2=C(SC(=C2)C2(CN(CC3=CC=CC=C23)C)O)C=C1.S1C2=C(C=C1)C=C(C=C2)C2(CN(CC1=CC=CC=C21)C)O | 3 |
OCC=1C[C@@H]2CC(C[C@H]([C@@]2(C1)C)C)=O>[Li].C1CCCO1.N>OCC=1C[C@@H]2C[C@H](C[C@H]([C@@]2(C1)C)C)O | 3 |
C(C=C)N.ClC1=NC2=CC=C(C=C2C(=N1)NCCCCCCC)[N+](=O)[O-]>>Cl.C(C=C)NC1=NC2=CC=C(C=C2C(=N1)NCCCCCCC)[N+](=O)[O-] | 5 |
[Cl:1][C:2]1[N:3]=[C:4]([C:9]2[CH:10]=[N:11][CH:12]=[CH:13][CH:14]=2)[S:5][C:6]=1[NH:7][CH3:8].N1C=CC=CC=1.[CH3:21][CH:22]([CH2:26][S:27][CH3:28])[C:23](Cl)=[O:24]>ClC(Cl)C.O>[Cl:1][C:2]1[N:3]=[C:4]([C:9]2[CH:10]=[N:11][CH:12]=[CH:13][CH:14]=2)[S:5][C:6]=1[N:7]([CH3:8])[C:23](=[O:24])[CH:22]([CH3:21])[CH2:26][S:27][CH3... | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH3:11])[C:9]#[N:10])=[CH:4][CH:3]=1.[CH2:12]=[O:13]>N1C=CC=CC=1.CO.O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([CH3:11])([CH2:12][OH:13])[C:9]#[N:10])=[CH:6][CH:7]=1 | 1 |
N1CCC1.FC1=C(C=CC(=C1)OCC[C@H]1[C@H](C1)C1CCN(CC1)C1=NC(=NO1)COC)CC(=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>N1(CCC1)C(CC1=C(C=C(OCC[C@H]2[C@H](C2)C2CCN(CC2)C2=NC(=NO2)COC)C=C1)F)=O | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([O:9][CH3:10])[CH:6]=[CH:5][C:4]=1[NH:11][C:12]1[N:16]([CH2:17][CH2:18][CH2:19][C:20](OCC)=O)[C:15]2[C:25]([CH:29]([CH2:32][CH3:33])[CH2:30][CH3:31])=[CH:26][CH:27]=[CH:28][C:14]=2[N:13]=1.[BH4-].[Li+].CS(Cl)(=O)=O.C(=O)([O-])[O-].[K+].[K+]>O1CCCC1.N1C=CC=CC=1.O.CN(C)C=O>[CH3:1][O:2][C:3]... | 1 |
ClC1=C(C=CC(=C1Cl)Cl)C>>ClC1=C(CBr)C=CC(=C1Cl)Cl | 5 |
OCC1=NN=NN1C1=CC(=C(C#N)C=C1)C(F)(F)F>>ClCC1=NN=NN1C1=CC(=C(C#N)C=C1)C(F)(F)F | 5 |
[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1/[CH:11]=[CH:12]/[C:13]([OH:15])=O.C(N(CC)CC)C.Cl.[NH2:24][OH:25].Cl>CN(C)C=O.O>[OH:25][NH:24][C:13](=[O:15])/[CH:12]=[CH:11]/[C:2]1[CH:3]=[CH:4][C:5]2[C:10](=[CH:9][CH:8]=[CH:7][CH:6]=2)[N:1]=1 | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H]([C@H](C1)CO)O>>BrC[C@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C | 5 |
C1(CCCO1)=O.BrC=1C=C(C=CC1)S>CCO[H].[Na]>BrC=1C=C(C=CC1)SCCCC(=O)O | 3 |
[CH3:1][O:2][C:3]([N:5]1[C@@H:13]2[C@@H:8]([C@@:9]([OH:23])([C:14]#[C:15][C:16]3[CH:17]=[C:18]([CH3:22])[CH:19]=[CH:20][CH:21]=3)[CH2:10][CH2:11][CH2:12]2)[CH2:7][CH2:6]1)=[O:4].[CH3:24][N:25]([CH3:32])[CH2:26][CH2:27][CH2:28][C:29](O)=[O:30]>>[CH3:1][O:2][C:3]([N:5]1[C@H:13]2[C@H:8]([C@:9]([O:23][C:29](=[O:30])[CH2:28... | 1 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([N:12]2[CH2:17][CH2:16][N:15]([C:18]([NH:20][C:21]3[CH:26]=[CH:25][CH:24]=[C:23]([F:27])[CH:22]=3)=[O:19])[CH2:14][CH:13]2[CH:28]([CH3:30])[CH3:29])[N:3]=1.[CH2:31]1[CH2:35][O:34]CC1>[Pd]>[C:35]([OH:19])(=[O:34])[CH3:31].[C:35]([OH:19])(=[O:34])[CH3:31].[N:... | 2 |
[Li+].FC(C1=CC=C(C=C1)N1CCN(CC1)CCCC(=O)[O-])(F)F.Cl.CN1N=NN=C1C1=CC=C(C=C1)NC1CCNCC1>N(C)(C)C=O.C1CCCO1.ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>CN1NC(=NN1)C1=CC=C(C=C1)NC1CCN(CC1)C(CCCN1CCN(CC1)C1=CC=C(C=C1)C(F)(F)F)=O | 3 |
[N+](=O)([O-])C=1C=C(CO)C=C(C1)[N+](=O)[O-].FC(CCCOC1=CC=C(C(=O)OC2=CC=C(C=C2)/C=C/C(=O)O)C=C1)(F)F>>FC(CCCOC1=CC=C(C(=O)OC2=CC=C(C=C2)/C=C/C(=O)OCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C=C1)(F)F | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.C(#CC)[Mg]Br>>OC1(CCN(CC1)C(=O)OC(C)(C)C)C#CC | 5 |
C(C=C)OC1=CC=C(CSCCC2=CC=NN2C)C=C1>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(C=C)OC1=CC=C(C=C1)CS(=O)CCC1=CC=NN1C | 3 |
ClC(C(=O)[O-])(F)F.[Na+].C(C)(=O)N1NC(C=C1)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[Cl-].[NH4+]>FC(OC1=NNC=C1)F | 3 |
FC1=C(C=CC=C1F)C(C(C)(F)F)NS(=O)C(C)(C)C>CO[H].Cl.C(O)([O-])=O.[Na+]>FC1=C(C=CC=C1F)C(C(C)(F)F)N | 3 |
[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][CH:4]([CH3:8])[NH:3]1.Br[CH2:10][C:11]#[N:12].C(=O)([O-])[O-].[Na+].[Na+]>CN(C)C=O>[CH3:1][CH:2]1[CH2:7][CH2:6][CH2:5][CH:4]([CH3:8])[N:3]1[CH2:10][C:11]#[N:12] | 2 |
NC1=CC=CC=C1.ClCCN=C=O>C1CCCO1.C(C)(=O)OCC.[H-].[Na+].[Cl-].[NH4+]>C1(=CC=CC=C1)N1C(NCC1)=O | 3 |
CC[Mg+].[Br-].C(C)OP(=O)(OCC)OC1=C(CN(CC1)C(=O)OC(C)(C)C)C(=O)OCC>[Cu]I.C1CCCO1.[Cl-].[NH4+]>C(C)C1=C(CN(CC1)C(=O)OC(C)(C)C)C(=O)OCC | 3 |
C(N)(OC(C)(C)C)=O.C(C)N1C=C(C2=C1N=CN(C2=O)C(C(F)(F)F)C)I>[Cu]I.O1CCOCC1.CN(CCN)C.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)N1C=C(C2=C1N=CN(C2=O)C(C(F)(F)F)C)NC(OC(C)(C)C)=O | 3 |
FC=1C=C(C=CC1)S(=O)(=O)C1=CC=C2C(CCOC2=C1)=O>>FC=1C=C(C=CC1)S(=O)(=O)C1=CC=C2C(CCOC2=C1)O | 5 |
O.[OH-].[Li+].O.[CH3:5][N:6]([CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([C:21]([O:23]C)=[O:22])[CH:16]=1)[C:7](=[O:13])[O:8][C:9]([CH3:12])([CH3:11])[CH3:10]>O1CCOCC1>[C:21]([C:17]1[CH:16]=[C:15]([CH:20]=[CH:19][CH:18]=1)[CH2:14][N:6]([CH3:5])[C:7](=[O:13])[O:8][C:9]([CH3:11])([CH3:12])[CH3:10])([OH:23])=[O:22] | 1 |
[CH3:1][NH:2][C:3]1[CH:8]=[C:7]([C:9]([N:11]2[CH2:16][CH2:15][CH2:14][CH:13]([C:17]3[CH:22]=[CH:21][C:20](C(F)(F)F)=[CH:19][CH:18]=3)[CH2:12]2)=[O:10])[CH:6]=[CH:5][N:4]=1.O.Cl.CNC1C=C(C=CN=1)[C:34](O)=[O:35].CNC1C=C(C=CN=1)C(O)=O.Cl.Cl.COC1C=CC=CC=1C1CCCNC1>>[CH3:34][O:35][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=1[... | 2 |
[C-]#N.[Zn+2].[C-]#N.C1(CC1)C1=C(C=C(C(=C1)CN1CC2(C1)ON=C(C2)N2CCC(CC2)(C(=O)OCC)C)OS(=O)(=O)C(F)(F)F)C2=CC=C(C=C2)F>>C(#N)C=1C(=CC(=C(C1)C1=CC=C(C=C1)F)C1CC1)CN1CC2(C1)ON=C(C2)N2CCC(CC2)(C(=O)OCC)C | 5 |
[C:1]([O-:4])([O-])=O.[K+].[K+].Br[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19].[OH:20][C:21]1[CH:22]=[C:23]([CH:26]=[CH:27][C:28]=1O)[CH:24]=[O:25].O>CN(C=O)C>[CH2:8]([O:20][C:21]1[CH:22]=[C:23]([CH:26]=[CH:27][C:28]=1[O:4][CH2:1][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]... | 1 |
C(C)C1C(C2=CC=C(C=C2C1)[N+](=O)[O-])C=1N=CNC1>CCO[H].[HH].[Pt](=O)=O>NC=1C=C2CC(CC2=CC1)(CC)C=1N=CNC1 | 3 |
O.C(O)=O.[Cl:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[N:12]1[CH2:38][CH2:37][C:14]2([CH2:18][N:17]([C:19]3[S:20][C:21]([C:24]4[N:25]=[N:26][N:27]([CH2:29][C:30]([O:32]C(C)(C)C)=[O:31])[N:28]=4)=[CH:22][N:23]=3)[CH2:16][CH2:15]2)[CH2:13]1>CCOC(C)=O>[Cl:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[N:12]1[CH2:38][CH2:37... | 2 |
Cl[CH2:2][CH:3]=O.C([O-])(O)=O.[Na+].[CH:10]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([CH:19]([CH3:21])[CH3:20])[C:14]=1[NH:22][C:23]([C:25]1[CH:26]=[C:27]([C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)[CH:28]=[C:29]([O:31][CH3:32])[CH:30]=1)=[NH:24])([CH3:12])[CH3:11].C(N)(C)C>O.C(OCC)(=O)C>[CH:19]([C:15]1[CH:16]=[CH:17]... | 1 |
[CH3:1][C:2]1([N:5]2[CH2:10][C:9]3([CH2:15][CH2:14][N:13](C(OC(C)(C)C)=O)[CH2:12][CH2:11]3)[O:8][CH2:7][C:6]2=[O:23])[CH2:4][CH2:3]1.Cl.[Br:25][C:26]1[CH:31]=[CH:30][C:29]([S:32](Cl)(=[O:34])=[O:33])=[CH:28][CH:27]=1>C(OCC)(=O)C.O1CCOCC1.CN(C)C1C=CN=CC=1>[Br:25][C:26]1[CH:31]=[CH:30][C:29]([S:32]([N:13]2[CH2:12][CH2:11... | 2 |
I.[F:2][C:3]1[CH:4]=[C:5]([NH:15][C:16](SC)=[NH:17])[CH:6]=[CH:7][C:8]=1[N:9]1[C:13]([CH3:14])=[N:12][CH:11]=[N:10]1.[Cl:20][CH2:21][CH2:22][CH2:23][CH2:24][CH:25]([C:29]1[CH:34]=[CH:33][C:32]([O:35][CH2:36][CH:37]([F:39])[F:38])=[CH:31][CH:30]=1)[C:26](O)=O.CN1CCOCC1.C(N(CC)C(C)C)(C)C.[NH2:56][NH2:57]>>[Cl:20][CH2:21]... | 1 |
N(=C=O)[C@H](C(=O)OC)CCCC.CC([C@H](CC=1OC(=NN1)C1=CC=C(C=C1)C(F)(F)F)O)(C)C>C1(=CC=CC=C1)C>CC([C@H](CC=1OC(=NN1)C1=CC=C(C=C1)C(F)(F)F)OC(=O)N[C@H](C(=O)OC)CCCC)(C)C | 3 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([CH:15]=[C:16]([C:18]([O:20][CH3:21])=[O:19])[CH:17]=1)C(O)=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:22]([OH:26])([CH3:25])([CH3:24])[CH3:23].C([N:29]([CH2:32]C)CC)C.C(OCC)(=[O:36])C>>[CH2:1]([O:8][C:9]1[CH:17]=[C:16]([CH:15]=[C:11]([NH:29][C:32]([O:26][C:22]([CH3:25])([CH3:24])[C... | 2 |
FC1=C(C=CC(=C1)F)C1=C(C(=CN1S(=O)(=O)C1=NC(=CC=C1)C)C(=O)OC)OC>C1CCCO1.CO[H].CC(C)C[AlH]CC(C)C>FC1=C(C=CC(=C1)F)C1=C(C(=CN1S(=O)(=O)C1=NC(=CC=C1)C)CO)OC | 3 |
COC1=C(CN2C(NC3=C(C2=O)C=C(S3)CC)=O)C=CC(=C1)OC.FC=1C=C(C(=CC1)C1=CC=C(C=C1)CO)C#N>>C(C)C1=CC2=C(N(C(NC2=O)=O)CC2=CC=C(C=C2)C=2C(=CC(=CC2)F)C#N)S1 | 5 |
C(C1=CC=CC=C1)N1N=C2N=C(N=C3N(CCC1=C23)CC2=CC=C(C=C2)OC)SC>>C(C1=CC=CC=C1)N1N=C2CCN(C3=NC(=NC1=C23)S(=O)(=O)C)CC2=CC=C(C=C2)OC | 5 |
Br[C:2]1[CH:10]=[C:9]2[C:5]([CH:6]=[N:7][N:8]2[CH3:11])=[C:4]([C:12]2[O:13][C:14]([CH2:17][N:18]3[CH2:23][CH2:22][N:21]([CH:24]([CH3:26])[CH3:25])[CH2:20][CH2:19]3)=[N:15][N:16]=2)[CH:3]=1.[CH3:27][O:28][C:29]1[C:34]([NH:35][S:36]([CH3:39])(=[O:38])=[O:37])=[CH:33][C:32](B2OC(C)(C)C(C)(C)O2)=[CH:31][N:30]=1.C(=O)([O-])... | 1 |
CI.N(=[N+]=[N-])C=1C=NC=CC1C1=CC=C(N(C2=CC=CC=C2)C2=CC=CC=C2)C=C1>CC#N.O.[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F.[NH4+]>[Cl-].N(=[N+]=[N-])C=1C=[N+](C=CC1C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C | 3 |
[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([CH2:11][CH2:12][CH2:13][OH:14])=[CH:5][NH:6]2.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cl:34][C:35]1[C:40]([CH3:41])=[CH:39][C:38](O)=[CH:37][C:36]=1[CH3:43]>>[Cl:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([CH2:11][CH2:12][CH2:13][O:14][C:38]1[CH:39]=[C:40]([CH3:... | 2 |
[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][NH:8]2)=[CH:4][CH:3]=1.Cl[C:12]1[C:21]2[C:16](=[CH:17][C:18]([CH3:22])=[CH:19][CH:20]=2)[N:15]=[CH:14][N:13]=1>>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][N:8]2[C:12]2[C:21]3[C:16](=[CH:17][C:18]([CH3:22])=[CH:19][CH:20]=3)[N:15]=[CH:14][N:13]=2)=[CH:4][CH:3]=1 | 1 |
ClC1=CC=C(C(=O)NC2CN(CCC2)C(=O)OC(C)(C)C)C=C1>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC=C(C(=O)NC2CNCCC2)C=C1 | 3 |
OC1=C(OCC(=O)O)C=CC=C1.BrC(C(=O)O)C1=NC=CC=C1>[OH-].[Na+]>N1=C(C=CC=C1)C(C(=O)O)OC1=C(C=CC=C1)OCC(=O)O | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]#[N:10])=[CH:4][CH:3]=1.[CH2:11]=[O:12]>>[CH:11]([C:3]1[CH:4]=[C:5]([CH2:8][C:9]#[N:10])[CH:6]=[CH:7][C:2]=1[OH:1])=[O:12] | 1 |
C(C1=CC=CC=C1)O.COC(C1=CC(C(=O)O)=CC(=C1)OCC)=O>C1(=CC=CC=C1)C.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>COC(C1=CC(=CC(=C1)OCC)NC(=O)OCC1=CC=CC=C1)=O | 3 |
C(C)(=O)OC(C)=O.C1(CC1)C=1C=CC(=NC1OC)/C(=C/CCN)/C1=CC=C(C=C1)SC>c1ccncc1>C1(CC1)C=1C=CC(=NC1OC)/C(=C/CCNC(C)=O)/C1=CC=C(C=C1)SC | 3 |
N1[C@@H](C[C@@H]2CCCC[C@H]12)C(=O)O.Cl.C(=O)(OCC)[C@H](CCC)N[C@@H](C)C(=O)Cl>>CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O.CC(C)(C)N | 5 |
[Al:1].[CH:2]([OH:5])([CH3:4])[CH3:3]>>[O:5]([Al:1]([O:5][CH:2]([CH3:4])[CH3:3])[O:5][CH:2]([CH3:4])[CH3:3])[CH:2]([CH3:4])[CH3:3] | 1 |
[F:1][C:2]1[C:3]([O:26]C2CCCCO2)=[C:4]([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH2:15][C:16]3[CH:25]=[CH:24][C:23]4[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=4)[N:17]=3)=[CH:10][CH:9]=2)[CH:5]=[CH:6][CH:7]=1.C1(C)C=CC(S([O-])(=O)=O)=CC=1.[NH+]1C=CC=CC=1>CO.C(Cl)Cl>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:8]2[CH:13]=[CH:12][C:11](... | 2 |
BrC1=C(C=CC(=C1)Cl)O>O.[OH-].[Na+].[I-].[K+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC.BrCCBr>BrC1=C(C=CC(=C1)Cl)OCCBr | 3 |
[C:1]12[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=1)[NH:6][C:5](=[O:12])[O:4][C:2]2=[O:3].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(O[CH:43]([CH3:45])[CH3:44])=O)=NC(OC(C)C)=O.[N:46]1[CH:51]=CC=[CH:48][CH:47]=1>C1COCC1>[N:46]1[CH:51]=[CH:45][C:43]([CH2:44][N:6]2[C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][C:1]=3[C:2](=[O:3])[O:4][C:5]2... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([OH:9])[CH:5]=[C:6]([OH:8])[CH:7]=1.Br[CH2:11][CH:12]([CH3:14])[CH3:13].C([O-])([O-])=O.[K+].[K+].O>CN(C=O)C>[F:1][C:2]1[CH:7]=[C:6]([OH:8])[CH:5]=[C:4]([O:9][CH2:11][CH:12]([CH3:14])[CH3:13])[CH:3]=1 | 2 |
C(OC(C)(C)C)(OC(C)(C)C)=O.CNCC1=CC=C(C=C1)CCO>ClCCl>C(C)(C)(C)OC(N(C)CC1=CC=C(C=C1)CCO)=O | 3 |
CC=1N=C(SC1C1=NC(=NC(=C1)C)SC)N>>CS(=O)C1=NC(=CC(=N1)C1=C(N=C(S1)N)C)C | 5 |
[S-]C#N.[NH4+].COC1=CC=C2C=CNC2=C1>CO[H].[N+](=O)([O-])[O-].[NH4+].[Ce+4].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]>COC1=CC=C2C(=CNC2=C1)SC#N | 3 |
C1(=CC=CC2=CC=CC=C12)O.C(C)OC1=CC=C(N)C=C1.P(OCC1=CC=CC=C1)(OCC1=CC=CC=C1)OCC1=CC=CC=C1>O>C(C)OC1=CC=C(C=C1)NC1=CC=CC2=CC=CC=C12 | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[C:9][C:10]2[N:11]=[C:12]([CH3:23])[N:13]([C:16]3[CH:21]=[CH:20][NH:19][C:18](=[O:22])[CH:17]=3)[C:14]=2[CH3:15])[CH:5]=[CH:4][N:3]=1.Br[CH2:25][CH2:26][O:27][CH3:28]>>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]#[C:9][C:10]2[N:11]=[C:12]([CH3:23])[N:13]([C:16]3[CH:21]=[CH:20][N:19]([CH2:25][CH2:26][O:... | 1 |
[Cl:1][C:2]([Cl:8])=[CH:3][CH:4]=[C:5]([CH3:7])[CH3:6].ClC(Cl)(Cl)C(O)=[O:12].O>C(Cl)Cl>[Cl:1][C:2]([Cl:8])=[CH:3][CH:4]1[O:12][C:5]1([CH3:7])[CH3:6] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC(CC(=O)O)(C)C>>C(C)(C)(C)OC(=O)NC(CC(=O)O)(C)C | 5 |
ClC1=C(C=CC(=N1)CNC=O)F>C1(=CC=CC=C1)C.O.P(=O)(Cl)(Cl)Cl>ClC1=C(C=CC=2N1C=NC2)F | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.ClC1=C(C(=O)N(C)C)C=CC(=C1)N1CC2(C1)CCNCC2>CO[H].CCN(CC)CC.[Ti](Cl)(Cl)(Cl)Cl.C(#N)[BH3-].[Na+]>ClC=1C=C(C=CC1C(N(C)C)=O)N1CC2(C1)CCN(CC2)C2CCN(CC2)C(=O)OC(C)(C)C | 3 |
CC(C=O)(C)C.CNCCCN>O.C1CCCCC1>CNCCC=NCC(C)(C)C | 3 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[N:12]([C:30](Cl)=[O:31])[C@H:13]([C:23]3[CH:28]=[CH:27][C:26]([Cl:29])=[CH:25][CH:24]=3)[C@H:14]([C:16]3[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][CH:17]=3)[N:15]=2)=[C:7]([O:33][CH2:34][CH3:35])[CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH:36]1[CH2:41][CH2:40][NH:39][CH2:38][C:37]1=[O:42]>... | 1 |
CN1CCC(CC1)N1CCCC2=CC=CC=C12>>BrC=1C=C2CCCN(C2=CC1)C1CCN(CC1)C | 5 |
[Cl:1][C:2]1[C:3]([F:16])=[C:4]([C:8]([N+:13]([O-:15])=[O:14])=[C:9]([F:12])[C:10]=1[F:11])[C:5](O)=[O:6].C(Cl)(=O)C([Cl:20])=O>ClCCl.CN(C)C=O>[Cl:1][C:2]1[C:3]([F:16])=[C:4]([C:8]([N+:13]([O-:15])=[O:14])=[C:9]([F:12])[C:10]=1[F:11])[C:5]([Cl:20])=[O:6] | 1 |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:4]=[C:5]([CH2:9][NH2:10])[CH:6]=[CH:7][CH:8]=1.Cl[CH2:14][Si:15]([CH3:18])([CH3:17])[CH3:16].C(N(CC)CC)C>CCCCCCC>[F:1][C:2]([F:11])([F:12])[C:3]1[CH:4]=[C:5]([CH:6]=[CH:7][CH:8]=1)[CH2:9][NH:10][CH2:14][Si:15]([CH3:18])([CH3:17])[CH3:16] | 1 |
[F:1][C:2]1[C:15]([N:16]=[C:17]=[O:18])=[CH:14][C:5]2[N:6]([CH2:11][C:12]#[CH:13])[C:7](=[O:10])[CH2:8][O:9][C:4]=2[CH:3]=1.[OH:19][CH:20]([C:25]([CH3:27])=[CH2:26])[C:21]([O:23][CH3:24])=[O:22].C(N(CC)CC)C.O>C1C=CC=CC=1>[F:1][C:2]1[C:15]([NH:16][C:17]([O:19][CH:20]([C:21]([O:23][CH3:24])=[O:22])[C:25]([CH3:27])=[CH2:2... | 1 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([OH:13])=O)=[CH:5]2.C([N:17](C(C)C)CC)(C)C.C1CN([P+](ON2N=NC3C=CC=CC2=3)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F.C1C=CC2N(O)N=NC=2C=1.[NH4+].[Cl-]>CN(C=O)C>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]([C:11]([NH2:17])=[O:13])=[CH:5]2 | 1 |
C(\C=C(\C)/CCC=C(C)C)S(=O)(=O)C\C=C(\C)/CCC=C(C)C.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC\C=C(/CC\C=C(/CCl)\C)\C>>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC\C=C(/CC\C=C(/CC(\C=C(/CCC=C(C)C)\C)S(=O)(=O)C1=CC=CC=C1)\C)\C | 5 |
[N+](=O)([O-])C=1C=CC(=NC1)Cl.NCCC1=NC=CC=C1>>[N+](=O)([O-])C=1C=CC(=NC1)NCCC1=NC=CC=C1 | 5 |
ClC1=C(CBr)C=CC=C1.C(C)(C)(C)C=1N=C(C2=C(N1)NC=C2)N2CC1(COC1)C2>N(C)(C)C=O.[H-].[Na+]>C(C)(C)(C)C=1N=C(C2=C(N1)N(C=C2)CC2=C(C=CC=C2)Cl)N2CC1(COC1)C2 | 3 |
C(C)(C)(C)[Si](N1CCC=2C1=NC=C(C2)C=O)(C)C>ClCCl.ClC=1C(C(=C(C(C1Cl)=O)C#N)C#N)=O>C(C)(C)(C)[Si](N1C=CC=2C1=NC=C(C2)C=O)(C)C | 3 |
[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([C@@H:20]2[CH2:22][O:21]2)=[C:13]2[C:18]=1[NH:17][C:16](=[O:19])[CH:15]=[CH:14]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:23]([NH2:30])[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[NH3:17].[CH2:23]([NH:30][CH2:22][C@@H:20]([C:12]1[CH:11]=[CH:10][C:9]([O:8][CH2:1][C:2]2[C... | 1 |
C1=C(C=CC2=CC=CC=C12)S(=O)(=O)Cl.C1CCN2CCC(CC12)C1=CNC2=CC=NC=C12>>C1CCN2CCC(CC12)C1=CN(C2=CC=NC=C12)S(=O)(=O)C1=CC2=CC=CC=C2C=C1 | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:9](=[N:10][CH:11]=1)[N:8]=[CH:7][C:6]([C:12]#[N:13])=[C:5]2[NH:14][C:15]1[CH:20]=[CH:19][CH:18]=[C:17]([Br:21])[CH:16]=1.Br[CH2:23][CH:24]=[CH:25][C:26](Cl)=[O:27].[CH3:29][N:30]1CCC[C:31]1=O.CNC>O1CCCC1>[Br:21][C:17]1[CH:16]=[C:15]([NH:14][C:5]2[C:6]([C:12]#[N:13])=[CH:7][N:8]=[C:9]3[C:4]=... | 1 |
C(OC(=O)CC[CH2:7][CH2:8][NH:9][CH:10]1[CH2:15][CH2:14][N:13]([C:16](=O)[C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([C@@H:23]([N:31]3[CH2:36][C@@H:35]([CH3:37])[N:34]([CH2:38][CH:39]=[CH2:40])[CH2:33][C@@H:32]3[CH3:41])[C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([OH:30])[CH:25]=3)[CH:18]=2)[CH2:12][CH2:11]1)C.[CH2:44]([OH:46])[CH3:45... | 1 |
CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C.CC1(C(C(C2C(CCCC12)=O)(C)C)C)C.CC1(C(C(C2C(C(CCC12)=O)=O)(C)C)C)C>C1(=CC=CC=C1)C.[HH].C(=O)N>CC1(C(C(C2C1CCC1=C2N=CO1)(C)C)C)C | 3 |
[N+](=O)([O-])C1=CC=C(C=C1)C1(CC1)N>ClCCl.c1ccncc1.C(C)(=O)OC(C)=O>[N+](=O)([O-])C1=CC=C(C=C1)C1(CC1)CC(=O)NC | 3 |
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