smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[C:1]12[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=1)[NH:6]C(=O)[O:4][C:2]2=O.[N:13]1([CH2:18][CH2:19][CH2:20][NH2:21])[CH:17]=[CH:16][N:15]=[CH:14]1>O1CCOCC1>[NH2:6][C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][C:1]=1[C:2]([NH:21][CH2:20][CH2:19][CH2:18][N:13]1[CH:17]=[CH:16][N:15]=[CH:14]1)=[O:4] | 1 |
[C:1](Cl)(=[O:5])C(Cl)=O.[C:7]1([C@H:13]([N:15]2[C:19](=[O:20])[CH2:18][C@@H:17]([C:21]([OH:23])=O)[CH2:16]2)[CH3:14])[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1.[CH2:24]([N:26](CC)CC)C>CN(C)C=O.ClCCl>[CH3:24][N:26]([O:5][CH3:1])[C:21]([C@@H:17]1[CH2:18][C:19](=[O:20])[N:15]([C@@H:13]([C:7]2[CH:8]=[CH:9][CH:10]=[CH:11][CH:12... | 1 |
C(OCC)(OCC)=O.FC1=CC=C(C=C1)C(C)=O>CCO[H].[H-].[Na+]>FC1=CC=C(C(=O)CC(=O)OCC)C=C1 | 3 |
CC1(C)[O:7][C:6]2[CH:8]=[CH:9][C:10]([C@H:12]3[O:16]C(=O)[N:14]([CH2:18][CH2:19][C:20]4[CH:21]=[C:22]([CH:39]=[CH:40][CH:41]=4)[CH2:23][O:24][CH2:25][CH2:26][CH2:27][CH2:28][C:29]4[CH:30]=[C:31]([S:35]([NH2:38])(=[O:37])=[O:36])[CH:32]=[CH:33][CH:34]=4)[CH2:13]3)=[CH:11][C:5]=2[CH2:4][O:3]1.C[Si](C)(C)[O-].[K+].CO>C1CO... | 2 |
[C:1]([C:3]1[CH:23]=[C:22]([C:24]2[N:29]=[C:28]([NH:30][C:31]3[CH:36]=[CH:35][C:34]([N:37]4[CH2:42][CH2:41][N:40]([CH:43]5[CH2:46][O:45][CH2:44]5)[CH2:39][CH2:38]4)=[CH:33][CH:32]=3)[N:27]=[CH:26][N:25]=2)[CH:21]=[CH:20][C:4]=1[O:5][C@H:6]1[CH2:11][CH2:10][N:9](C(OC(C)(C)C)=O)[C@H:8]([CH3:19])[CH2:7]1)#[N:2]>C(O)(C(F)(... | 2 |
BrC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC1=NC=CC=C1>>CN(C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC1=NC=CC=C1)C | 5 |
[Cl:1][C:2]1[C:9]([Cl:10])=[CH:8][CH:7]=[C:6]([Cl:11])[C:3]=1[CH:4]=O.[OH-].[Na+].[CH3:14][C:15]([CH3:17])=[O:16]>O>[Cl:1][C:2]1[C:9]([Cl:10])=[CH:8][CH:7]=[C:6]([Cl:11])[C:3]=1/[CH:4]=[CH:14]/[C:15](=[O:16])[CH3:17] | 1 |
[CH3:1][C:2](=[CH:4][CH2:5][CH2:6]/[C:7](=[CH:9]/[CH2:10][OH:11])/[CH3:8])[CH3:3].[CH:12](=[O:19])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18]>C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH2:10]([O:11][CH:12]([O:19][CH2:10]/[CH:9]=[C:7](/[CH2:6][CH2:5][CH:4]=[C:2]([CH3:3])[CH3:1])\[CH3:8])[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C... | 2 |
[C:1]([C:4]1[S:5][CH:6]=[CH:7][CH:8]=1)(=[O:3])[CH3:2].[CH2:9]([NH2:13])[CH2:10][CH2:11][CH3:12]>C1(C)C=CC=CC=1.C(O)=O>[CH2:9]([NH2:13])[CH2:10][CH2:11][CH3:12].[C:1]([C:4]1[S:5][CH:6]=[CH:7][CH:8]=1)(=[O:3])[CH3:2] | 1 |
[CH3:1][C:2](OCC1C2C(=CC=CC=2)C(COC(C)=O)=C2C=1C=CC=C2)=[O:3].[NH2:25][C:26]1[CH:27]=[C:28]([OH:32])[CH:29]=[CH:30][CH:31]=1>O>[C:2]([NH:25][C:26]1[CH:27]=[C:28]([OH:32])[CH:29]=[CH:30][CH:31]=1)(=[O:3])[CH3:1] | 1 |
[C:1](Cl)(=[O:4])[CH:2]=[CH2:3].[NH2:6][C:7]1[CH:12]=[C:11]([NH:13][C:14]2[N:19]=[C:18]([C:20]3[C:28]4[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=4)[N:22]([CH3:29])[CH:21]=3)[CH:17]=[CH:16][N:15]=2)[C:10]([O:30][CH3:31])=[CH:9][C:8]=1[N:32]([CH3:44])[CH2:33][CH2:34][N:35]([CH3:43])[C:36](=[O:42])[O:37][C:38]([CH3:41])([CH3:4... | 1 |
[CH:1]1([CH2:4][O:5][C:6]2[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[CH:8][C:7]=2[C:14]2[C:15]3[N:22]([CH2:23][O:24][CH2:25][CH2:26][Si:27]([CH3:30])([CH3:29])[CH3:28])[C:21]([CH3:31])=[C:20]([C:32]([OH:34])=O)[C:16]=3[N:17]=[CH:18][N:19]=2)[CH2:3][CH2:2]1.[NH2:35][CH:36]1[CH2:41][CH2:40][N:39]([C:42]([O:44][C:45]([CH3:48])... | 1 |
FC1=C(C(=CC=C1F)F)O.CS(=O)(=O)OC(C)C1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.O.[HH].C(C)(=O)OCC.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(OC(C)C2CCNCC2)C(=CC=C1F)F | 3 |
C(C1=CC=CC=C1)(=O)NN.C(C)(=S)NC1=CC=CC=C1>>CC1=NN=C(N1C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
Cl.[Cl:2][C:3]1[CH:4]=[C:5]([C:13]2[O:17][N:16]=[C:15]([C:18]3[C:28]4[O:27][CH2:26][CH2:25][N:24](C(OC(C)(C)C)=O)[CH:23]([CH2:36][C:37]([OH:39])=[O:38])[C:22]=4[CH:21]=[CH:20][CH:19]=3)[N:14]=2)[CH:6]=[N:7][C:8]=1[O:9][CH:10]([CH3:12])[CH3:11].C(OCC)C>O1CCOCC1>[Cl:2][C:3]1[CH:4]=[C:5]([C:13]2[O:17][N:16]=[C:15]([C:18]3... | 2 |
C[Si](C)(C)C#C.FC1=NC=CC=C1I>>FC1=NC=CC=C1C#C[Si](C)(C)C | 5 |
CS(=O)(=O)Cl.N1(C=CC2=CC=CC=C12)C(CCO)C1=CC=CC=C1>>ClCCC(C1=CC=CC=C1)N1C=CC2=CC=CC=C12 | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.C(C)(C)(C)OC(=O)N1CCC(CC1)=CC(=O)OCC>>C(C)OC(CC1=CCN(CC1)C(=O)OC(C)(C)C)=O | 5 |
[OH:1][C:2]([C:4]([F:7])([F:6])[F:5])=[O:3].C([N:15]1[CH:24]([CH3:25])[CH2:23][C:22]2[C:17](=[N:18][C:19]([N:31]3[CH2:36][CH2:35][CH:34]([O:37][C:38]4[CH:43]=[CH:42][C:41]([F:44])=[CH:40][C:39]=4[F:45])[CH2:33][CH2:32]3)=[C:20]([NH:26][CH2:27][CH:28]([F:30])[F:29])[N:21]=2)[CH2:16]1)C1C=CC=CC=1>C1COCC1.[OH-].[OH-].[Pd+... | 1 |
C([O-])(=O)C.[K+].CC1(C)OCB([B:13]2[O:18][CH2:17][C:16]([CH3:20])([CH3:19])[CH2:15][O:14]2)CO1.Br[C:23]1[CH:24]=[C:25]([NH2:42])[C:26]([N:29]([CH:36]2[CH2:41][CH2:40][CH2:39][CH2:38][CH2:37]2)[CH2:30][CH2:31][C:32]([F:35])([F:34])[F:33])=[CH:27][CH:28]=1>CS(C)=O.C(Cl)Cl.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(... | 2 |
N(=[N+]=[N-])C1CCC2=C(N(C1=O)C)C=CC(N2C)=O>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3>NC1CCC2=C(N(C1=O)C)C=CC(N2C)=O | 3 |
[CH3:1][C:2]1([CH3:14])[C:6]([CH3:8])([CH3:7])[O:5][B:4]([C:9]2[CH:10]=[N:11][NH:12][CH:13]=2)[O:3]1.C(=O)([O-])[O-].[Cs+].[Cs+].[I-].[K+].Cl.Cl[CH2:25][CH2:26][N:27]([CH2:30][CH3:31])[CH2:28][CH3:29]>C(#N)C>[CH2:26]([N:27]([CH2:30][CH3:31])[CH2:28][CH2:29][N:12]1[CH:13]=[C:9]([B:4]2[O:5][C:6]([CH3:7])([CH3:8])[C:2]([C... | 2 |
Br[C:2]1[CH:3]=[C:4]([C:8]2([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH:21]([F:23])[F:22])=[C:16]([CH3:24])[CH:15]=3)[CH2:12][O:11][C:10]([NH2:13])=[N:9]2)[CH:5]=[CH:6][CH:7]=1.[F:25][CH:26]([F:37])[O:27][C:28]1[CH:29]=[C:30](B(O)O)[CH:31]=[CH:32][CH:33]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C(=O)([O-])[O-].[Na+].[Na+]>C... | 1 |
FC1(C[C@@H]2N(C(CNC2=O)=O)C1)F>>FC1(CC2N(CCNC2)C1)F | 5 |
NC1=C(C=C(C=C1)[N+](=O)[O-])S>>[N+](=O)([O-])C1=CC2=C(NC(CS2)=O)C=C1 | 5 |
[F:1][C:2]1[CH:3]=[C:4]2C(=[CH:9][CH:10]=1)NC(=O)[C:5]2=[N:12][N:13]=CC1(C)CC(C)(C(O)=O)CN1.Cl.C(N=C=NCCCN(C)C)C.[OH:37][C:38]1C2N=NNC=2[CH:41]=[CH:40][CH:39]=1.C([N:49]([CH2:52][CH3:53])[CH2:50][CH3:51])C.[NH2:54][C:55]1[CH:60]=[C:59]([F:61])[CH:58]=[CH:57][C:56]=1[NH:62][C:63](=[O:76])[C:64]1[CH:69]=[CH:68][C:67]([NH... | 1 |
C(CC)(=O)OC(CC)=O.C1(=CC=CC=C1)C1(CCN(CC1)CC1C(C2=CC=C(C=C2CC1)O)=O)O>>C1(=CC=CC=C1)C1(CCN(CC1)CC1C(C2=CC=C(C=C2CC1)OC(CC)=O)=O)O | 3 |
[OH:1][C:2]1[CH:12]=[CH:11][C:5]2[C:6](=[O:10])[CH2:7][CH2:8][O:9][C:4]=2[C:3]=1[CH2:13][CH2:14][CH3:15].C([O:18][C:19](=[O:44])[CH2:20][CH2:21][C:22](=[O:43])[C:23]1[CH:28]=[CH:27][C:26]([O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]Br)=[C:25]([CH2:36][CH2:37][C:38]([O:40]CC)=[O:39])[CH:24]=1)C>C(O)C.C(OCC)(=O)C>[C:38... | 1 |
[F:1][C:2]1[CH:3]=[C:4]([CH:20]=[CH:21][CH:22]=1)[CH2:5][CH2:6][NH:7][C:8](=O)[C:9]1[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][CH:10]=1.O=P12OP3(OP(OP(O3)(O1)=O)(=O)O2)=O.[OH-].[K+].C(OCC)C>CCOC(C)=O>[F:1][C:2]1[CH:3]=[C:4]2[C:20](=[CH:21][CH:22]=1)[C:8]([C:9]1[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17... | 1 |
O1C(OCCC1)C1=CN=C(N1C)C1=CC2=NC=CC(=C2S1)OC1=C(C=C(C=C1)[N+](=O)[O-])F>>COC(C1=CN=C(N1C)C1=CC2=NC=CC(=C2S1)OC1=C(C=C(C=C1)[N+](=O)[O-])F)OC | 5 |
C[Mg]Cl.OC1=C(C=CC(=C1)O)C1CC(CCC1)=O>C1CCCO1>OC1=C(C=CC(=C1)O)C1CC(CCC1)(O)C | 3 |
Br[C:2]1[CH:7]=[N:6][C:5]([Br:8])=[CH:4][N:3]=1.[CH2:9]([NH:12][CH2:13][CH:14]=[CH2:15])[CH:10]=[CH2:11]>CN(C=O)C>[CH2:9]([N:12]([CH2:13][CH:14]=[CH2:15])[C:2]1[CH:7]=[N:6][C:5]([Br:8])=[CH:4][N:3]=1)[CH:10]=[CH2:11] | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[C:12]([S:13][CH3:14])=[C:11]([C:15]([OH:17])=O)[N:10]=[C:9]2[C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=2[Cl:25])=[CH:4][CH:3]=1.C(N(CC)C(C)C)(C)C.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)[C:46]2[CH:47]=[CH:48][CH:49]=C[C:45]=2[N:44]=[N:43]1.NN1CCCCC1>CC#N.O>[Cl:1][C:2]1[CH... | 1 |
NC1=CC=CC2=CC=CC(=C12)N.BrC=1C=C(C=CC1)B(O)O>C1(=CC=CC=C1)C>BrC=1C=C(C=CC1)B1NC=2C=CC=C3C=CC=C(N1)C23 | 3 |
C(C(C)C)N.CN1N=C(C=C1N)C(F)(F)F>ClCCl.Cl.O1CCOCC1.C(=S)(N1C=NC=C1)N1C=NC=C1>N(=C=S)C1=CC(=NN1C)C(F)(F)F | 3 |
FC1=C(C(=O)NC2=NC(=NC=C2)C(=O)OC)C(=CC=C1C(F)(F)F)OC1=C(C=C(C=C1)OC(F)(F)F)OC>CO[H].N.CS(=O)C>FC1=C(C(=O)NC2=NC(=NC=C2)C(=O)N)C(=CC=C1C(F)(F)F)OC1=C(C=C(C=C1)OC(F)(F)F)OC | 3 |
C1(CC1)CC1=NC(=CC(=C1F)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(OCC)OCC>CC#N.O.S(O)(O)(=O)=O>NC1=CC(=NC(=C1F)CC1CC1)C=O | 3 |
[Cl:1][C:2]1[NH:3][C:4]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[C:5]([F:12])[C:6]=1[C:7]([O:9][CH2:10][CH3:11])=[O:8].[H-].[Na+].C1OCCOCCOCCOCCOC1.[C:36]1([S:42](Cl)(=[O:44])=[O:43])[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>O1CCCC1.[Cl-].[Na+].O>[Cl:1][C:2]1[N:3]([S:42]([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:3... | 1 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][CH2:17][CH2:18]O)=[CH:11][CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(P(CCCC)CCCC)CCC.[NH:33]1[CH:37]=[N:36][CH:35]=[N:34]1.N(C(OCC)=O)=NC(OCC)=O>O1CCCC1.O>[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][CH2:17][CH2:18][N:33]2[CH:37]=[N:36][CH:... | 1 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([CH2:11][C:12]3[N:16]4[N:17]=[C:18]([C:21](=O)[CH3:22])[CH:19]=[CH:20][C:15]4=[N:14][CH:13]=3)=[CH:8][CH:9]=2)[CH:4]=[N:3]1.[NH:24]([C:26]([NH2:28])=[O:27])[NH2:25]>C1COCC1>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7]([CH2:11][C:12]3[N:16]4[N:17]=[C:18](/[C:21](=[N:25]/[NH:24][C:26]([NH... | 1 |
CC1=NC2=C(N1)C=C(C=C2OCC2=CC=CC=C2)C(=O)O>>CC1=NC2=C(N1)C=C(C=C2OCC2=CC=CC=C2)C(=O)OC | 5 |
CI.C[Si](N[Si](C)(C)C)(C)C.[Li].FC(OC1=C(C=CC=C1)CC1=C(N=C2N1C=C(C=C2)C=2C=NC(=NC2)N2CCC(CC2)(C(=O)OC)C)C)F>>FC(OC1=C(C=CC=C1)C(C)C1=C(N=C2N1C=C(C=C2)C=2C=NC(=NC2)N2CCC(CC2)(C(=O)OC)C)C)F | 5 |
Cl[C:2]1[N:3]=[C:4]([N:22]2[CH2:27][CH2:26][O:25][CH2:24][CH2:23]2)[C:5]2[CH:10]=[C:9]([CH2:11][N:12]3[CH2:17][CH2:16][N:15]([S:18]([CH3:21])(=[O:20])=[O:19])[CH2:14][CH2:13]3)[S:8][C:6]=2[N:7]=1.[NH2:28][C:29]1[N:34]=[C:33](B2OC(C)(C)C(C)(C)O2)[CH:32]=[CH:31][CH:30]=1>>[O:25]1[CH2:26][CH2:27][N:22]([C:4]2[C:5]3[CH:10]... | 1 |
C(=O)(OC(C)(C)C)N1C[C@H](CC1)N.FC=1C(=CC(=NC1)S(=O)(=O)N(C=1N=CSC1)CC1=CC=C(C=C1)OC)C>CS(=O)C.C(C)(C)N(C(C)C)CC>COC1=CC=C(CN(S(=O)(=O)C2=CC(=C(C=N2)N[C@@H]2CN(CC2)C(=O)OC(C)(C)C)C)C=2N=CSC2)C=C1 | 3 |
CN1C(C2=CC=C(C=C2C1)[N+](=O)[O-])=O>CO[H].CCO[H].[HH].[Pd]>NC=1C=C2CN(C(C2=CC1)=O)C | 3 |
C(C=C)ONC(=O)C1N(CCCC1(C)O)S(=O)(=O)C1=CC=C(C=C1)OCC1=CC=C(C=C1)F>>ONC(=O)C1N(CCCC1(C)O)S(=O)(=O)C1=CC=C(C=C1)OCC1=CC=C(C=C1)F | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH2:9][C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)=O)=[CH:4][C:3]=1[CH3:19].[NH2:20][NH2:21]>C1COCC1>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[C:10]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[NH:21][N:20]=2)=[CH:4][C:3]=1[CH3:19] | 1 |
C1(CC1)[Mg]Br.BrC=1C=C(C=O)C=C(C1)Cl>C1CCCO1>BrC=1C=C(C=C(C1)Cl)C(O)C1CC1 | 3 |
C1(CCCCC1)N1C[C@@H](CC1)NC=1N=CC(=NC1)/C=C/C(=O)NOC1OCCCC1>>Cl.Cl.C1(CCCCC1)N1C[C@@H](CC1)NC=1N=CC(=NC1)/C=C/C(=O)NO | 5 |
COC1=CC2=CN(C=C2C=C1)C=1SC2=C(N1)C=CC(=C2)C(=O)OCC>CO[H].ClCCl.B(Br)(Br)Br>OC=1C=C2CN(CC2=CC1)C=1SC2=C(N1)C=CC(=C2)C(=O)OCC | 3 |
COC(CC=1C(=NN(C1C)CC1=CC=C(C=C1)CSC1=CC=C(C=C1)C(F)(F)F)C)=O>[OH-].[Na+].O1CCOCC1>CC1=NN(C(=C1CC(=O)O)C)CC1=CC=C(C=C1)CSC1=CC=C(C=C1)C(F)(F)F | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]2[C:10]3[CH:18]=[C:17]([S:19]([CH2:22][CH2:23]O)(=[O:21])=[O:20])[N:16]=[CH:15][C:11]=3[N:12]=[CH:13][N:14]=2)[CH:5]=[CH:6][CH:7]=1.C(N(CC)CC)C.CS(Cl)(=O)=O>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]([NH:8][C:9]2[C:10]3[CH:18]=[C:17]([S:19]([CH:22]=[CH2:23])(=[O:21])=[O:20])[N:16]=[CH:15][C:11]=... | 1 |
[CH2:1]([N:8]([CH3:47])[C:9]([CH:11]1[CH2:16][CH2:15][CH:14]([NH:17][C@H:18]([CH2:39][C:40]2[CH:45]=[CH:44][C:43]([Cl:46])=[CH:42][CH:41]=2)[C:19]([N:21]2[CH2:26][CH2:25][C:24]([CH:33]3[CH2:38][CH2:37][CH2:36][CH2:35][CH2:34]3)([CH2:27][N:28]3[CH:32]=[N:31][CH:30]=[N:29]3)[CH2:23][CH2:22]2)=[O:20])[CH2:13][CH2:12]1)=[O... | 2 |
[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([C:15]2[N:20]=[C:19]([C:21]3[CH:47]=[C:46]([CH3:48])[CH:45]=[CH:44][C:22]=3[O:23][CH2:24][C:25]3[CH:30]=[CH:29][C:28]([C:31]4[CH2:32][CH2:33][N:34]([C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])[CH2:35][CH:36]=4)=[CH:27][CH:26]=3)[CH:18]=[CH:17][CH:16]=2)[C:10]=1[C:1... | 1 |
[F-].[K+].CN1CCCC1.[F:9][C:10]([Si](C)(C)C)([F:12])[F:11].[Cl:17][C:18]1[CH:23]=[C:22](I)[C:21]([Cl:25])=[CH:20][N:19]=1.N>[Cu](I)I>[Cl:17][C:18]1[CH:23]=[C:22]([C:10]([F:12])([F:11])[F:9])[C:21]([Cl:25])=[CH:20][N:19]=1 | 1 |
[CH3:1][C:2]1[NH:3][C:4](=[O:13])[CH2:5][CH2:6][C:7]=1[C:8]([O:10][CH2:11][CH3:12])=[O:9].C(C1C(=O)C(Cl)=C(Cl)C(=O)C=1C#N)#N>>[CH3:1][C:2]1[NH:3][C:4](=[O:13])[CH:5]=[CH:6][C:7]=1[C:8]([O:10][CH2:11][CH3:12])=[O:9] | 2 |
CC([OH:5])(C)C.CC[C@@H]1[C@@H]2C[C@H]([C@@H](OC3C4C(=CC=CC=4)C(O[C@@H](C4C=CN=C5C=4C=C(OC)C=C5)[C@@H]4N5C[C@H](CC)[C@@H](CC5)C4)=NN=3)C3C=CN=C4C=3C=C(OC)C=C4)N(CC2)C1.CS(N)(=O)=O.[CH3:69][O:70][N:71]([CH3:77])[C:72](=[O:76])[C:73]([CH3:75])=[CH2:74].[OH2:78]>>[OH:78][C@@:73]([CH3:75])([CH2:74][OH:5])[C:72]([N:71]([O:70... | 1 |
[CH3:1][C@@H:2]1[CH2:73][O:72][C@@:5]2([O:9][C@H:8]3[CH2:10][C@H:11]4[C@@H:16]5[CH2:17][CH2:18][C@@H:19]6[CH2:24][C@@H:23]([O:25][C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[CH2:22][CH2:21][C@:20]6([... | 1 |
CC1(OCCO1)CCC(=O)NC=1C=NC2=CC=CC=C2C1NNC(=O)OC(C)(C)C>O.C(CCC)O.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>CC1=NN2C(=NC=3C=NC4=CC=CC=C4C32)CC1 | 3 |
ClC1=CC=C2C=C(NC2=C1)C(=O)O.C1CCC12CNC(C2)C(=O)N[C@H](C(=O)OC)C[C@H]2C(NCCC2)=O>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>ClC1=CC=C2C=C(NC2=C1)C(=O)N1CC2(CCC2)CC1C(=O)N[C@H](C(=O)OC)C[C@H]1C(NCCC1)=O | 3 |
CC[Mg+].[Br-].BrC=1SC(=CN1)C=O>C1CCCO1>BrC=1SC(=CN1)C(CC)O | 3 |
C(C)(C)(C)C=1C=C(C=C(C1)C(C)(C)C)C>CC#N.BrN1C(CCC1=O)=O.[Fe](Cl)Cl>BrC1=C(C=C(C=C1C)C(C)(C)C)C(C)(C)C | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC=1C=C2C(=CC(NC2=CC1)(C)C)C>>BrC=1C=C2C(=CC(N(C2=CC1)C(=O)OC(C)(C)C)(C)C)C | 5 |
[C:1]([NH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)([O:3][C:4]([CH3:7])([CH3:6])C)=[O:2].C([Li])(C)(C)C.CCCCC.[C:25]([N:32]1[CH2:37]CC(=O)C[CH2:33]1)([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26].Cl>O1CCCC1.C(OCC)C.CC(C)([O-])C.[K+]>[O:2]=[C:1]1[NH:8][C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][C:14]=2[C:4]2([CH2:6][... | 1 |
BrC=1C=C(C(=O)OC)C=C(C1Cl)Cl>C1CCCO1.O[Li].O>BrC=1C=C(C(=O)O)C=C(C1Cl)Cl | 3 |
CC=1N(C(C(=C(N1)C)C1=CC=C(C=C1)[N+](=O)[O-])=O)CC1=CC=C(C=C1)[C@@H](CC(=O)OC)C>CCO[H].C(C)(=O)OCC.O.O.[Sn](Cl)Cl>NC1=CC=C(C=C1)C1=C(N=C(N(C1=O)CC1=CC=C(C=C1)[C@@H](CC(=O)OC)C)C)C | 3 |
CI.NC1=NC2=CC=CC=C2C(=C1)O>>COC1=CC(=NC2=CC=CC=C12)N | 5 |
COC(C)(C)C.C1(=CC=C(C=C1)S(=O)(=O)C(C1=CC=C(C=C1)F)[N+]#[C-])C.N1=CN=C(C=C1)\C=N\C1CCN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)C=1N=CN(C1C1=NC=NC=C1)C1CCN(CC1)C(=O)OC(C)(C)C | 3 |
C1(=CC=C(C=C1)OC)O[H].BrC=1C=C(C=C(C1OC1=C(C=C(C(=C1)C(C)C)OC)C(C1=CC(=CC=C1)C)O)Br)CC(=O)O>ClCCl.O.O.[Sn](Cl)Cl>BrC=1C=C(C=C(C1OC1=C(C=C(C(=C1)C(C)C)OC)C(C1=CC(=CC=C1)C)OC1=CC=C(C=C1)OC)Br)CC(=O)O | 3 |
COC(C1=CC(=NC=C1C#N)Cl)=O>O1CCOCC1.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(C1=CC(=NC=C1C#N)[Sn](C)(C)C)=O | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[OH:9].O[C@H:11]([CH3:16])[C:12]([O:14][CH3:15])=[O:13]>>[Cl:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[CH:4][C:3]=1[O:9][C@@H:11]([CH3:16])[C:12]([O:14][CH3:15])=[O:13] | 1 |
BrC=1C(=C(C=NC1C)N)C>C(C)(=O)O.N(=O)[O-].[Na+]>BrC1=C2C(=CN=C1C)NN=C2 | 3 |
[C:1]1(=[O:18])[N:5]([CH:6]([CH2:11][CH3:12])[CH2:7][C:8]([OH:10])=O)[C:4](=[O:13])[C:3]2=[CH:14][CH:15]=[CH:16][CH:17]=[C:2]12.C(N1C=CN=C1)(N1C=CN=C1)=O.[Cl:31][C:32]1[CH:33]=[CH:34][C:35]2[N:41]=[C:40]([NH:42][NH2:43])[CH2:39][N:38]=[C:37]([C:44]3[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=3)[C:36]=2[CH:50]=1>O1CCCC1>[Cl:3... | 1 |
[O:1]1[C:5]2[CH:6]=[C:7]([OH:10])[CH:8]=[CH:9][C:4]=2[CH2:3][CH2:2]1.CC1C=C(O)C=CC=1C.[C:20]1([CH:26]([C:39]2[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=2)[N:27]2[C:35]3[C:30](=[CH:31][C:32]([F:36])=[CH:33][CH:34]=3)[C:29](=[O:37])[C:28]2=[O:38])[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.C1(C(C2C=CC=CC=2)N2C3C(=CC=CC=3)C(=O)C2=... | 1 |
Cl[S:2]([N:5]=[C:6]=[O:7])(=[O:4])=[O:3].[C:8]([OH:12])([CH3:11])([CH3:10])[CH3:9].[CH3:13][O:14][CH:15]([O:18][CH3:19])[CH2:16][NH2:17].C(N(CC)CC)C.Cl>ClCCl>[CH3:13][O:14][CH:15]([O:18][CH3:19])[CH2:16][NH:17][S:2]([NH:5][C:6](=[O:7])[O:12][C:8]([CH3:11])([CH3:10])[CH3:9])(=[O:4])=[O:3] | 1 |
COC(CCC(C=O)C)=O.C(C)(C)(C)OC(N[C@H]1CN(C[C@@H]1N)CC1=CC=CC=C1)=O>>C(C)(C)(C)OC(N[C@H]1CN(C[C@@H]1N1C(CCC(C1)C)=O)CC1=CC=CC=C1)=O | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:9]=[C:10]([O:12][C@H:13]2[CH2:17][CH2:16][O:15][CH2:14]2)[CH:11]=1)[C:5]([O:7]C)=[O:6].[N:18]1([C:22]([C:24]2[CH:29]=[CH:28][C:27](Br)=[CH:26][N:25]=2)=[O:23])[CH2:21][CH2:20][CH2:19]1.C(=O)([O-])[O-].[Cs+].[Cs+]>CC(N(C)C)=O.O>[N:18]1([C:22]([C:24]2[N:25]=[CH:26][C:27]([O:1][C:2]3[CH:3]=[C:... | 1 |
FC(OC1=C(N)C=CC=C1)F>>FC(OC=1C=CC=C2C(=CC=NC12)O)F | 5 |
[N:1]1[CH:6]=[CH:5][C:4]([C:7]#[C:8][CH2:9][OH:10])=[CH:3][CH:2]=1>[Rh]>[NH:1]1[CH2:6][CH2:5][CH:4]([CH2:7][CH2:8][CH2:9][OH:10])[CH2:3][CH2:2]1 | 1 |
[NH2:1][C:2]1[CH:7]=[C:6]([C:8]([CH3:11])([CH3:10])[CH3:9])[C:5]([OH:12])=[C:4]([C:13]([CH3:16])([CH3:15])[CH3:14])[CH:3]=1.[C:17]1([CH3:27])[CH:22]=[CH:21][C:20]([S:23](Cl)(=[O:25])=[O:24])=[CH:19][CH:18]=1.[OH-].[Na+]>CC(C)=O>[C:13]([C:4]1[CH:3]=[C:2]([NH:1][S:23]([C:20]2[CH:21]=[CH:22][C:17]([CH3:27])=[CH:18][CH:19]... | 1 |
[OH:1][CH:2]1[CH2:7][CH2:6][NH:5][CH2:4][CH2:3]1.[C:8]([O:12][C:13](=O)[O:14]C(C)(C)C)([CH3:11])([CH3:10])[CH3:9]>C(Cl)(Cl)Cl.C(OCC)(=O)C>[OH:1][CH:2]1[CH2:7][CH2:6][N:5]([C:13]([O:12][C:8]([CH3:11])([CH3:10])[CH3:9])=[O:14])[CH2:4][CH2:3]1 | 1 |
[F:1][C:2]1[CH:9]=[C:8]([OH:10])[C:7]([OH:11])=[CH:6][C:3]=1[CH:4]=[O:5].[C:12]([O-])([O-])=O.[Cs+].[Cs+].O>CN(C=O)C>[F:1][C:2]1[C:3]([CH:4]=[O:5])=[CH:6][C:7]2[O:11][CH2:12][O:10][C:8]=2[CH:9]=1 | 1 |
Cl[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][C:8]=2[NH:12][C:13](=[O:16])[CH2:14][CH3:15])[N:3]=1.[F:17][C:18]([F:39])([F:38])[C:19]1[CH:20]=[C:21]([C:29]2([C:34]([F:37])([F:36])[F:35])[CH2:33][CH2:32][NH:31][CH2:30]2)[CH:22]=[C:23]([C:25]([F:28])([F:27])[F:26])[CH:24]=1.C(=O)([O-])[O-].[K+].[K+]>CN1CCCC1=O.... | 2 |
OCC1CN(CCC1)C=1C=CC(=C(C(=O)NC=2C(=C(C(=O)OC)C=CC2C)C)C1)C>C1CCCO1.[OH-].[Na+]>OCC1CN(CCC1)C=1C=CC(=C(C(=O)NC=2C(=C(C(=O)O)C=CC2C)C)C1)C | 3 |
C(C=C)(=O)Cl>C1(=CC=CC=C1)C.O.[N-]=[N+]=[N-].[Na+].CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.[Cl-]>C(C1=CC=CC=C1)OC(NC=C)=O | 3 |
COC1=CC=C(CCl)C=C1.BrC=1C=C(C(=NC1F)N)F>O.[H-].[Na+].[Cl-].[NH4+].[Cl-].C[Al+]C>BrC=1C=C(C(=NC1F)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)F | 3 |
C(OC)(OC)OC.NC1=C(C=C(C=C1)Cl)C=1C=C2C(=NC1)C(CC2)N2N=CC(=C2)C2=CC=C(C=C2)NC(OC)=O>O.C(C)(=O)O.N(=[N+]=[N-])[Si](C)(C)C>ClC=1C=CC(=C(C1)C=1C=C2C(=NC1)C(CC2)N2N=CC(=C2)C2=CC=C(C=C2)NC(OC)=O)N2N=NN=C2 | 3 |
C(C)(C)(C)OC(=O)N1C[C@H](CC1)OC=1C2=C(N=CN1)CCN(C2)CC2=CC=CC=C2>CO[H].CCN(CC)CC.O.O.[Pd].C(=O)O>C(C)(C)(C)OC(=O)N1C[C@H](CC1)OC=1C2=C(N=CN1)CCNC2 | 3 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1.Br[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=1.CC([O-])(C)C.[Na+].C1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2N(C)C)CCCCC1>O1CCOCC1>[C:11]([O:10][C:8]([N:5]1[CH2:4][CH2:3][CH:2]([NH:1][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][N... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClC1=CC2=C(C=N1)C(NN2C(=O)OCC)=O>ClCCl.CCN(CC)CC>ClC1=CC2=C(C=N1)C(NN2C(=O)OC(C)(C)C)=O | 3 |
Cl.C(C)(C)(C)OC(CCCN)=O.C[C@H]1N(CCC1)CCC1=CC=C(C=C1)C1=CC=C(C=C1)CCC(=O)O>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C[C@H]1N(CCC1)CCC1=CC=C(C=C1)C1=CC=C(C=C1)CCC(=O)NCCCC(=O)OC(C)(C)C | 3 |
Br[C:2]1[N:7]=[C:6]([C:8]([O:10][CH3:11])=[O:9])[CH:5]=[CH:4][C:3]=1[F:12].[F:13][C:14]1[C:19]([O:20][CH3:21])=[CH:18][CH:17]=[C:16]([F:22])[C:15]=1B(O)O.[F-].[K+].C(P(C(C)(C)C)C(C)(C)C)(C)(C)C>C1COCC1.O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=C... | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C)C1=C(C=2C=CNC2C(=C1)C)C=O>>C(C)C=1C(=C2C=CN(C2=C(C1)C)C(=O)OC(C)(C)C)C=O | 5 |
Br[C:2]1[CH:15]=[CH:14][C:13]2[C:4](=[C:5]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[C:6]3[C:11]([C:12]=2[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[CH:10][CH:9]=[CH:8][CH:7]=3)[CH:3]=1.[C:28]1([NH:38][C:39]2[CH:40]=[CH:41][C:42]3[N:43]([C:52]4[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=4)[C:44]4[C:49]([C:50]=3[CH... | 1 |
C(OC([N:8]1[CH2:17][CH2:16][C:15]2[C:11](=[C:12](OS(C(F)(F)F)(=O)=O)[N:13]([CH:18]3[CH2:21][CH2:20][CH2:19]3)[N:14]=2)[CH2:10][CH2:9]1)=O)(C)(C)C.[F:30][C:31]1[CH:36]=[CH:35][C:34](B(O)O)=[CH:33][CH:32]=1>>[CH:18]1([N:13]2[C:12]([C:34]3[CH:35]=[CH:36][C:31]([F:30])=[CH:32][CH:33]=3)=[C:11]3[C:15]([CH2:16][CH2:17][NH:8]... | 1 |
[O:1]=[C:2]1[C@H:9]2[C@H:4]([CH2:5][CH2:6][CH2:7][CH2:8]2)[N:3]1[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11].[NH3:17]>ClCCl>[C:2]([C@H:9]1[CH2:8][CH2:7][CH2:6][CH2:5][C@H:4]1[NH:3][C:10](=[O:11])[O:12][C:13]([CH3:16])([CH3:15])[CH3:14])(=[O:1])[NH2:17] | 2 |
O1C=NC=C1C1=NC=C(C(=O)O)C=C1>O.C1CCCO1.[Na+].[BH4-].C(=O)(C=1NC=CN1)C=1NC=CN1>O1C=NC=C1C1=CC=C(C=N1)CO | 3 |
BrC=1C=C2C=C(NC(C2=CC1)=O)C>CN(C(C)=O)C.ClN1C(CCC1=O)=O>BrC=1C=C2C(=C(NC(C2=CC1)=O)C)Cl | 3 |
[Si]([O:8][C@H:9]1[CH2:13][N:12]([C:14]([O:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([N+:24]([O-:26])=[O:25])=[CH:20][CH:19]=2)=[O:15])[C@H:11]([CH2:27][NH:28][C:29](=[O:33])[CH:30](Cl)[CH3:31])[CH2:10]1)(C(C)(C)C)(C)C.[O-:34][C:35]#[N:36].[K+].O>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C)C=O>[OH:8][C@H:9]1[CH2:13][N:12]([C:14... | 1 |
CC1=CC=C(C=N1)CCN(N)C1=CC=C(C=C1)C.C(C)OC(CCCNC)OCC>O.Cl>CNCCC1=CN(C2=CC=C(C=C12)C)CCC=1C=NC(=CC1)C | 3 |
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