smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][CH2:2][CH2:3][N:4]1[CH2:9][CH2:8][O:7][CH2:6][CH2:5]1.C(N(CC)CC)C.Cl[C:18]([O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])=[O:19]>C(Cl)(Cl)Cl>[O:7]1[CH2:8][CH2:9][N:4]([CH2:3][CH2:2][NH:1][C:18](=[O:19])[O:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH2:5][CH2:6]1 | 1 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[N:20]([CH:23]1[CH:27]([CH3:28])[CH2:26][N:25]([C:29]([O:31][CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:30])[CH2:24]1)=[N+]=[N-].Cl.[OH-].[Na+]>O.C(#N)C>[NH2:20][C@H:23]1[C@@H:27]([CH3:28])[CH2:26][N:25]([C:29]([O:31][CH2:32][C:33]2[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=2)=[O:30])[CH2:24]1 | 1 |
Br[C:2]1[CH:3]=[C:4]2[C:13]3([CH2:17][O:16][C:15]([N:18](C(OC(C)(C)C)=O)[C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20])=[N:14]3)[C:10]3([CH2:12][CH2:11]3)[CH2:9][O:8][C:5]2=[CH:6][CH:7]=1.F[B-](F)(F)F.C([PH+](C(C)(C)C)C(C)(C)C)(C)(C)C.C[Si]([N-:55][Si](C)(C)C)(C)C.[Li+].Cl>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.[Pd].CO>[NH2:55][C:2]1[CH:3]=[C:4]2[C:13]3([CH2:17][O:16][C:15]([NH:18][C:19](=[O:20])[O:21][C:22]([CH3:25])([CH3:23])[CH3:24])=[N:14]3)[C:10]3([CH2:12][CH2:11]3)[CH2:9][O:8][C:5]2=[CH:6][CH:7]=1 | 1 |
ClC1=CC=C(C=C1)[N+](=O)[O-].N1CCSCC1>C(CCC)O>[N+](=O)([O-])C1=CC=C(C=C1)N1CCSCC1 | 3 |
COC=1C=C(C=CC1C(=O)N1CCN(CC1)C)C=1C=CC=2N(C1)C(=CN2)C2=CC=C(C#N)C=C2>ClCCl.C(O)([O-])=O.[Na+]>OC=1C=C(C=CC1C(=O)N1CCN(CC1)C)C=1C=CC=2N(C1)C(=CN2)C2=CC=C(C#N)C=C2 | 3 |
N1=CC(=CC2=CC=CC=C12)C=O>[Na+].[BH4-].CCO[H]>OCC=1C=NC2=CC=CC=C2C1 | 3 |
ClC=1C=C(C=CC1)N=C=S.OC1=CC=C(C(=O)NN)C=C1>CO[H].[Hg]=O>ClC=1C=C(C=CC1)NC1=NN=C(O1)C1=CC=C(C=C1)O | 3 |
Cl.ON.C(C1=CC=CC=C1)(C1=CC=CC=C1)=NC=1N=C2C(=NC1)N(C(=C2)C)COCC[Si](C)(C)C>>CC1=CC=2C(=NC=C(N2)N)N1COCC[Si](C)(C)C | 5 |
[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[NH:7][C:6]3[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15][C:5]=3[C:4]=2[CH:3]=1.Cl[CH2:18][C:19]([N:21]1[CH2:26][CH2:25][CH:24]([CH3:27])[CH2:23][CH2:22]1)=[O:20]>C1COCC1>[Cl:1][C:2]1[CH:10]=[CH:9][C:8]2[N:7]([CH2:18][C:19]([N:21]3[CH2:26][CH2:25][CH:24]([CH3:27])[CH2:23][CH2:22]3)=[O:20])[C:6]3[CH2:11][CH2:12][N:13]([CH3:16])[CH2:14][CH2:15][C:5]=3[C:4]=2[CH:3]=1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:19]=[CH:20][CH:21]=1)[C:5]([NH:7][N:8]=[C:9]([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[CH:10]=[N:11][OH:12])=[O:6].[C:22]1(C)C=CC=C[CH:23]=1.BrCC>[OH-].[Na+].[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[Cl:1][C:2]1[CH:3]=[C:4]([CH:19]=[CH:20][CH:21]=1)[C:5]([NH:7][N:8]=[C:9]([C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1)[CH:10]=[N:11][O:12][CH2:22][CH3:23])=[O:6] | 2 |
FC=1C=C(C=CC1F)O.BrC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C>[Cu]I.CN(C)CC(=O)O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>FC=1C=C(OC2=C(C(=C(C=C2)OC)[N+](=O)[O-])C)C=CC1F | 3 |
BrC1=CC=2C(=C(C=C3C=CN=CC23)CO)C=C1>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>BrC1=CC=2C(=C(C=C3C=CN=CC23)C=O)C=C1 | 3 |
ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1COC1=CC(=C(C=C1)N(C)CC=1C=C(C(=O)OC)C=CC1)C)C(C)C>C1CCCO1.[OH-].[Li+]>ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1COC1=CC(=C(C=C1)N(C)CC=1C=C(C(=O)O)C=CC1)C)C(C)C | 3 |
C12C(CCC1)O2.BrC=1C=C(C(=NC1)OC)C(F)(F)F>O.C(CCC)[Li].B(F)(F)F.CCOCC>COC1=C(C=C(C=N1)[C@@H]1[C@H](CCC1)O)C(F)(F)F | 3 |
[C:1]1([C:7]2[O:25][C:10]3[N:11]=[CH:12][N:13]=[C:14]([NH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]([O:23][CH3:24])=[O:22])[C:9]=3[C:8]=2[C:26]2[CH:31]=[CH:30][C:29]([CH:32]=[CH2:33])=[CH:28][N:27]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1>[Pd].C(O)C>[CH2:32]([C:29]1[CH:30]=[CH:31][C:26]([C:8]2[C:9]3[C:14]([NH:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][C:21]([O:23][CH3:24])=[O:22])=[N:13][CH:12]=[N:11][C:10]=3[O:25][C:7]=2[C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)=[N:27][CH:28]=1)[CH3:33] | 2 |
ClC=1C=C(C=CC1OC)N>>ClC=1C=C(C=CC1OC)NC(C)=O | 5 |
[CH3:1][O:2][C:3]1[C:10]([CH3:11])=[C:9]([CH3:12])[C:8]([O:13][CH3:14])=[C:7]([CH3:15])[C:4]=1[CH2:5]O.P(Br)(Br)[Br:17]>O1CCCC1.O>[CH3:1][O:2][C:3]1[C:10]([CH3:11])=[C:9]([CH3:12])[C:8]([O:13][CH3:14])=[C:7]([CH3:15])[C:4]=1[CH2:5][Br:17] | 1 |
COC1=CC=C(C=C1)CCC=1C=CC2=C(C=C(O2)C(C)NC(C)=O)C1>>OC1=CC=C(C=C1)CCC=1C=CC2=C(C=C(O2)C(C)NC(C)=O)C1 | 5 |
[CH:1]([O:4][C:5]1[CH:6]=[C:7]([CH:10]=[CH:11][CH:12]=1)[CH2:8][OH:9])(C)C.C([Li])CCC.[N:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[CH:24]=[O:25].[Cl-].[NH4+]>CCOCC.CCCCCC.C(OCC)(=O)C>[OH:9][CH2:8][C:7]1[CH:10]=[CH:11][CH:12]=[C:5]([O:4][CH3:1])[C:6]=1[CH:24]([C:19]1[CH:20]=[CH:21][CH:22]=[CH:23][N:18]=1)[OH:25] | 1 |
[CH3:1][N:2]1[C@@H:12]2[CH2:13][C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[C:16]4[O:21][C@H:6]5[C:7]([CH:9]=[CH:10][C@:11]2([OH:22])[C@:5]5([C:15]=34)[CH2:4][CH2:3]1)=[O:8].C(=O)(O)[O-].[Na+].[I-].[Na+].[Br-].Cl.[CH2:32](O)[CH3:33]>CN(C)C=O>[CH2:32]=[CH:33][CH2:1][N:2]1[C@@H:12]2[CH2:13][C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[C:16]4[O:21][C@H:6]5[C:7]([CH2:9][CH2:10][C@:11]2([OH:22])[C@:5]5([C:15]=34)[CH2:4][CH2:3]1)=[O:8] | 1 |
BrCCCC1=CC2=CC=C(C=C2C=C1)CCCBr>CCO[H].C(C)NCC>C(C)N(CCCC1=CC2=CC=C(C=C2C=C1)CCCN(CC)CC)CC | 3 |
[CH2:1]([C@@H:8]1[CH2:13][N:12]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:11][CH2:10][N:9]1[C:21]([C:23]1[CH:27]=[CH:26][NH:25][C:24]=1[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)=[O:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Br[CH2:35][C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=[O:37].[H-].[Na+].C(=O)(O)[O-].[Na+]>CN(C=O)C>[CH2:1]([C@@H:8]1[CH2:13][N:12]([CH2:14][C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:11][CH2:10][N:9]1[C:21]([C:23]1[CH:27]=[CH:26][N:25]([CH2:35][C:36]([O:38][C:39]([CH3:42])([CH3:41])[CH3:40])=[O:37])[C:24]=1[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1)=[O:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
C(CC(C)C)=O.OCC1(CC1)CO>ClCCl>C(C(C)C)C1OCC2(CC2)CO1 | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:10]3[CH2:11][N:12]([CH3:15])[CH2:13][CH2:14][C:9]=3[NH:8][C:5]2=[N:6][CH:7]=1.[OH-].[K+].[F:18][C:19]([F:29])([F:28])[C:20]1[CH:25]=[CH:24][C:23]([CH:26]=[CH2:27])=[CH:22][N:21]=1>CN1C(=O)CCC1.O>[CH3:1][C:2]1[CH:3]=[C:4]2[C:10]3[CH2:11][N:12]([CH3:15])[CH2:13][CH2:14][C:9]=3[N:8]([CH2:27][CH2:26][C:23]3[CH:22]=[N:21][C:20]([C:19]([F:29])([F:18])[F:28])=[CH:25][CH:24]=3)[C:5]2=[N:6][CH:7]=1 | 1 |
S1C=C(C=C1)C=O.NC1CC(CCC1)NC1=NC2=CC=C(C=C2C=C1)N(C)C>ClCCl.C(C)(=O)O>CN(C=1C=C2C=CC(=NC2=CC1)NC1CC(CCC1)NCC1=CSC=C1)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9]=[C:8]([C@H:13]([CH3:17])[C:14]([OH:16])=[O:15])[CH:7]=[CH:6]2.[N+:18]([O:21][CH:22]1[O:29][CH:28]2[CH:24]([O:25][CH2:26][C@@H:27]2O)[CH2:23]1)([O-:20])=[O:19].Cl.CN(C)CCCN=C=NCC>ClCCl>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9]=[C:8]([C@H:13]([CH3:17])[C:14]([O:16][C@@H:27]1[CH2:26][O:25][CH:24]3[CH:28]1[O:29][CH:22]([O:21][N+:18]([O-:20])=[O:19])[CH2:23]3)=[O:15])[CH:7]=[CH:6]2 | 1 |
NC1CCN(CC1)CC1=CC=CC=C1.C1(CCCC1)N1C2=C(N(C(C(C1)C)=O)C)C=NC(=N2)NC2=C(C=C(C(=O)O)C=C2)OC>>C1(CCCC1)N1C2=C(N(C(C(C1)C)=O)C)C=NC(=N2)NC2=C(C=C(C(=O)NC1CCN(CC1)CC1=CC=CC=C1)C=C2)OC | 5 |
[S-]C#N.[K+].ClCC(=O)C=1C=C(C=CC1)C(C1=CC=C(COC2=C(C(=C(C=C2)C(CC)=O)O)C)C=C1)OC1OCCCC1>>OC(C=1C=C(C=CC1)C=1NC(SC1)=O)C1=CC=C(C=C1)COC1=C(C(=C(C=C1)C(CC)=O)O)C | 5 |
C(C1=CC=CC=C1)OC1CC(C1)O>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OC1CC(C1)OCC1=CC=CC=C1 | 3 |
BrC=1C=C(C=CC1)C1=NN2C(C(=C(C(=C2)C)C(=O)OC(C)(C)C)OS(=O)(=O)C(F)(F)F)=C1>ClCCl.C(=O)(C(F)(F)F)O>BrC=1C=C(C=CC1)C1=NN2C(C(=C(C(=C2)C)C(=O)O)OS(=O)(=O)C(F)(F)F)=C1 | 3 |
[CH2:1]([O:3][C:4]([C:6]1[C:11](Cl)=[CH:10][C:9]([C:13]([F:16])([F:15])[F:14])=[CH:8][N:7]=1)=[O:5])[CH3:2]>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH2:1]([O:3][C:4]([C:6]1[CH:11]=[CH:10][C:9]([C:13]([F:16])([F:15])[F:14])=[C:8]([C:1]([O:3][CH2:4][CH3:6])=[CH2:2])[N:7]=1)=[O:5])[CH3:2] | 2 |
[NH2:1][C:2]1[O:3][CH:4]=[C:5]([C:7]2[C@:8]3([CH2:25][CH2:24][C@H:23]4[C@@H:13]([CH2:14][CH:15]=[C:16]5[C@:21]4([CH3:22])[CH2:20][CH2:19][C@H:18]([OH:26])[CH2:17]5)[C@@H:10]3[CH2:11][CH:12]=2)[CH3:9])[N:6]=1.Br>>[NH2:1][C:2]1[O:3][CH:4]=[C:5]([C:7]2[C@:8]3([CH2:25][CH2:24][C@H:23]4[C@@H:13]([CH2:14][CH:15]=[C:16]5[C@:21]4([CH3:22])[CH2:20][CH2:19][C:18](=[O:26])[CH2:17]5)[C@@H:10]3[CH2:11][CH:12]=2)[CH3:9])[N:6]=1 | 1 |
ClC1=CC=C(C=C1)N=C=O.C(CCCC)S(=O)(=O)N>O.Cl.[OH-].[Na+].CC(=O)C>ClC1=CC=C(C=C1)NC(=O)NS(=O)(=O)CCCCC | 3 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([N:13]3[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)=[CH:7][C:8]([NH2:12])=[N:9]2)=[CH:4][CH:3]=1.[CH2:19]([N:21]=[C:22]=[O:23])[CH3:20].C(N(C(C)C)CC)(C)C>>[NH2:12][C:8]1[CH:7]=[C:6]([N:13]2[CH2:18][CH2:17][N:16]([C:22]([NH:21][CH2:19][CH3:20])=[O:23])[CH2:15][CH2:14]2)[C:5]2[C:10](=[CH:11][C:2]([Cl:1])=[CH:3][CH:4]=2)[N:9]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[C:9]1[N:10]([C:24]2[CH:29]=[CH:28][C:27]([OH:30])=[CH:26][CH:25]=2)[C:11]([CH3:23])=[C:12]([C:14]([NH:16][N:17]2[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]2)=[O:15])[N:13]=1.C(N(CC)CC)C.[CH3:38][CH:39]([CH3:46])[CH2:40][CH2:41][S:42](Cl)(=[O:44])=[O:43].O>ClCCl>[CH3:38][CH:39]([CH3:46])[CH2:40][CH2:41][S:42]([O:30][C:27]1[CH:26]=[CH:25][C:24]([N:10]2[C:11]([CH3:23])=[C:12]([C:14]([NH:16][N:17]3[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]3)=[O:15])[N:13]=[C:9]2[C:3]2[CH:4]=[CH:5][C:6]([Cl:8])=[CH:7][C:2]=2[Cl:1])=[CH:29][CH:28]=1)(=[O:44])=[O:43] | 1 |
CS(=O)(=O)OCCN(C1=C(C=C(C(=C1)C(=O)NCCO)[N+](=O)[O-])[N+](=O)[O-])CCOS(=O)(=O)C>>BrCCN(C=1C(=CC(=C(C(=O)NCCO)C1)[N+](=O)[O-])[N+](=O)[O-])CCBr | 5 |
Cl.[F:2][C:3]([F:10])([F:9])[CH2:4][O:5][CH2:6][CH2:7][NH2:8].[Si](O[CH2:19][C:20]1[C:21]([O:47][CH3:48])=[N:22][C:23]2[C:28]([C:29]=1[Cl:30])=[CH:27][C:26]([C:31]([C:40]1[N:44]([CH3:45])[C:43]([CH3:46])=[N:42][CH:41]=1)([C:33]1[N:37]([CH3:38])[C:36]([CH3:39])=[N:35][CH:34]=1)[OH:32])=[CH:25][CH:24]=2)(C(C)(C)C)(C)C.C(N(CC)CC)C.[I-].[K+]>C(O)C>[Cl:30][C:29]1[C:28]2[C:23](=[CH:24][CH:25]=[C:26]([C:31]([C:33]3[N:37]([CH3:38])[C:36]([CH3:39])=[N:35][CH:34]=3)([C:40]3[N:44]([CH3:45])[C:43]([CH3:46])=[N:42][CH:41]=3)[OH:32])[CH:27]=2)[N:22]=[C:21]([O:47][CH3:48])[C:20]=1[CH2:19][NH:8][CH2:7][CH2:6][O:5][CH2:4][C:3]([F:10])([F:9])[F:2] | 2 |
C(C)(=O)C1=C(C=CC(=C1)Cl)NS(=O)(=O)C(F)(F)F.Cl.FC(C1=C(CON)C=C(C=C1)C(F)(F)F)(F)F>>FC(C1=C(CON=C(C)C2=C(C=CC(=C2)Cl)NS(=O)(=O)C(F)(F)F)C=C(C=C1)C(F)(F)F)(F)F | 5 |
ClC=1C=C(C=CC1F)C1=NN2C(CNCC2)=C1C(=O)N.FC1(CC(C1)(C)CC(=O)O)F>>ClC=1C=C(C=CC1F)C1=NN2C(CN(CC2)C(=O)NCC2(CC(C2)(F)F)C)=C1C(=O)N | 5 |
[Br:1][C:2]1[C:7]([CH2:8]Br)=[CH:6][CH:5]=[CH:4][N:3]=1.[C-:10]#[N:11].[Na+].O.C(O)C>ClCCl>[Br:1][C:2]1[C:7]([CH2:8][C:10]#[N:11])=[CH:6][CH:5]=[CH:4][N:3]=1 | 1 |
CC1(CCC(O1)CO)C>O.ClCCl.[OH-].[Na+].C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>CC1(CCC(O1)C=O)C | 3 |
ClC=1C=C(C=CC1F)B(O)O.C(C1=CC=CC=C1)N1C=CC2=CC=CC(=C12)Br>O.ClCCl.C([O-])([O-])=O.[K+].[K+].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]>C(C1=CC=CC=C1)N1C=CC2=CC=CC(=C12)C1=CC(=C(C=C1)F)Cl | 3 |
CI.C1=NC(=CC2=C1NC1=CC=CC=C21)C(=O)[C@]2(C(N(C1=CC=C(C(=C21)N)OC)C2=CC=C(C=C2)F)=O)C>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>CN1C2=C(C3=CC=CC=C13)C=C(N=C2)C(=O)[C@]2(C(N(C1=CC=C(C(=C21)N)OC)C2=CC=C(C=C2)F)=O)C | 3 |
ClC1=C(C=CC=2N(C(=NC21)CC)CC(=O)OC(C)(C)C)C#N>C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>ClC1=C(C=CC=2N(C(=NC21)CC)CC(=O)O)C#N | 3 |
[C:1]1([CH:7]2[CH2:12][CH2:11][N:10]([CH2:13][C:14]3[S:18][C:17]([NH:19]C(=O)OC(C)(C)C)=[N:16][CH:15]=3)[CH2:9][CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl>O1CCOCC1>[C:1]1([CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][C:14]3[S:18][C:17]([NH2:19])=[N:16][CH:15]=3)[CH2:11][CH2:12]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 2 |
C1(=CC(=CC=C1)N)N.ClC=1C=C(C=2N(N1)C(=CN2)C#N)N(CC2=CC=C(C=C2)OC)C2CC2>>NC=1C=C(C=CC1)NC=1C=C(C=2N(N1)C(=CN2)C#N)N(CC2=CC=C(C=C2)OC)C2CC2 | 5 |
C1(CC1)S(=O)(=O)Cl.N[C@@H]1[C@@H](N(CC1)C(=O)N1CCC1)CC=1C=C(C=CC1)C1=CC=CC=C1>C1CCCO1.C1(=CC=NC=C1)N(C)C.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.C(C)(C)OC(C)C>N1(CCC1)C(=O)N1[C@H]([C@H](CC1)NS(=O)(=O)C1CC1)CC=1C=C(C=CC1)C1=CC=CC=C1 | 3 |
FCCCN(C(OC(C)(C)C)=O)CCO.BrC=1C(=C(C(=CC1)F)[C@H]1N([C@@H](CC2=C1NC1=CC=CC=C21)C)CC(CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)(F)F)F>C1(=CC=CC=C1)C.O.C(=O)([O-])[O-].[Cs+].[Cs+].CC1=CC=C(OC)C(P(C(C)(C)C)C(C)(C)C)=C1C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C.NC3=CC=CC=C3C4=CC=CC=C4[Pd]OS(C)(=O)=O>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC(CN1[C@@H](C=2NC3=CC=CC=C3C2C[C@H]1C)C=1C(=C(OCCN(C(OC(C)(C)C)=O)CCCF)C=CC1F)F)(F)F | 3 |
[C:1](Cl)(=[O:4])[CH:2]=[CH2:3].[CH3:6][N:7]([CH3:37])[CH2:8][CH2:9][N:10]([CH3:36])[C:11]1[C:12]([NH2:35])=[CH:13][C:14]([NH:19][C:20]2[N:25]=[C:24]([C:26]3[CH:27]=[N:28][N:29]4[CH2:34][CH2:33][CH2:32][CH2:31][C:30]=34)[CH:23]=[CH:22][N:21]=2)=[C:15]([O:17][CH3:18])[CH:16]=1>C(Cl)Cl>[CH3:37][N:7]([CH3:6])[CH2:8][CH2:9][N:10]([CH3:36])[C:11]1[CH:16]=[C:15]([O:17][CH3:18])[C:14]([NH:19][C:20]2[N:25]=[C:24]([C:26]3[CH:27]=[N:28][N:29]4[CH2:34][CH2:33][CH2:32][CH2:31][C:30]=34)[CH:23]=[CH:22][N:21]=2)=[CH:13][C:12]=1[NH:35][C:1](=[O:4])[CH:2]=[CH2:3] | 1 |
ClC1=C(C(=O)N)C=CC(=C1F)F>N(C)(C)C=O.c1ccncc1.C(C(=O)Cl)(=O)Cl>ClC1=C(C#N)C=CC(=C1F)F | 3 |
C1(CC1)C1=CC=C(C=C1)S(=O)(=O)Cl>O.CC(=O)C.[F-].[K+]>C1(CC1)C1=CC=C(C=C1)S(=O)(=O)F | 3 |
C(C1=CC=CC=C1)N1N=C(C(=C1)/C=C/C(=O)OCC)C(C)C>C1CCCO1.[HH].[Pd]>C(C1=CC=CC=C1)N1N=C(C(=C1)CCC(=O)OCC)C(C)C | 3 |
C(C)OC(C(C(C)=O)C(C)=O)=O>>C(C)OC(=O)C=1C(=NN(C1C)C1=CC=CC=C1)C | 5 |
[C:1]([C:4]1[CH:5]=[CH:6][C:7]2[O:12][C:11]([CH3:14])([CH3:13])[CH2:10][CH:9]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][N:16]=3)[C:8]=2[CH:21]=1)(=[O:3])[CH3:2].ClC1C=CC=C(C(OO)=[O:30])C=1>ClCCl>[C:1]([C:4]1[CH:5]=[CH:6][C:7]2[O:12][C:11]([CH3:14])([CH3:13])[CH2:10][CH:9]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][N+:16]=3[O-:30])[C:8]=2[CH:21]=1)(=[O:3])[CH3:2] | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10](OCC)=[O:11])=[C:5]([N+:15]([O-])=O)[CH:4]=1>CC(O)=O.[Fe]>[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:6]([CH2:9][C:10](=[O:11])[NH:15]2)=[CH:7][CH:8]=1 | 2 |
BrC=1C(=NC2=C(SCC(N2)=O)N1)C(=O)OC>O.C1CCCO1.CO[H].[HH].[Pd].C(C)(=O)[O-].[Na+]>O=C1NC2=C(SC1)N=CC(=N2)C(=O)OC | 3 |
BrCC1=CC2=C(N(C=N2)C(=O)OC(C)(C)C)C=C1.C(CC)OC1=CC=C(C=C1)C1=C(N)C=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+]>N1C=NC2=C1C=CC(=C2)CNC2=C(C=CC=C2)C2=CC=C(C=C2)OCCC | 3 |
ClC=1C=C(C(=NC1)F)F>>ClC=1C=C(C(=NC1)N1CCNCC1)F | 5 |
[C:1]([C:5]1[N:10]=[C:9]([O:11][C:12]2[C:17]([CH3:18])=[CH:16][C:15]([CH3:19])=[CH:14][C:13]=2[CH3:20])[C:8]([C:21]#N)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[OH-:23].[K+].CCO.[OH2:28]>>[C:1]([C:5]1[N:10]=[C:9]([O:11][C:12]2[C:17]([CH3:18])=[CH:16][C:15]([CH3:19])=[CH:14][C:13]=2[CH3:20])[C:8]([C:21]([OH:28])=[O:23])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2] | 2 |
O1[C@H](COCC1)CC1C2=C(C(NC1)=O)C=C(N2)C2=NC(=NC=C2)SC>N(C)(C)C=O.IN1C(CCC1=O)=O>O1[C@H](COCC1)CC1C2=C(C(NC1)=O)C(=C(N2)C2=NC(=NC=C2)SC)I | 3 |
C1(=C(C=CC=C1C(=O)[H])Br)O[H]>>BrC1=C(C(=CC=C1)CNCCO)O | 5 |
[CH2:1]([S:3][C:4]1[O:5][C:6]2[C:14]([C@H:15]3[CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][C@H:16]3[OH:22])=[C:13]([O:23]C)[CH:12]=[C:11]([O:25]C)[C:7]=2[C:8](=[O:10])[CH:9]=1)[CH3:2].B(Br)(Br)Br>ClCCCl>[CH2:1]([S:3][C:4]1[O:5][C:6]2[C:14]([C@H:15]3[CH2:20][CH2:19][N:18]([CH3:21])[CH2:17][C@H:16]3[OH:22])=[C:13]([OH:23])[CH:12]=[C:11]([OH:25])[C:7]=2[C:8](=[O:10])[CH:9]=1)[CH3:2] | 1 |
Cl.CC1=C(C=CC=C1C)CNC=1SCCN1>O.C(C)OCC.[OH-].[Na+]>CC1=C(C=CC=C1C)CNC=1SCCN1 | 3 |
ClC1=C(CBr)C=CC(=C1)C(C)(C)C.C(#N)C1=CC=C(C=C1)CCC(CC1=CC=C(C(=O)OC)C=C1)\C=C\C1=C(C=CC=C1)O>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)C1=CC(=C(COC2=C(C=CC=C2)/C=C/C(CC2=CC=C(C(=O)OC)C=C2)CCC2=CC=C(C=C2)C#N)C=C1)Cl | 3 |
[CH3:1][NH:2][C:3]([C:5]1[C:6]([O:22][C:23]2[C:24]([CH3:37])=[C:25]([NH:29]C(=O)OC(C)(C)C)[CH:26]=[CH:27][CH:28]=2)=[CH:7][C:8](=[O:21])[N:9]([CH3:20])[C:10]=1[NH:11][C:12]1[CH:17]=[CH:16][C:15]([I:18])=[CH:14][C:13]=1[F:19])=[O:4].FC(F)(F)C(O)=O>ClCCl>[CH3:1][NH:2][C:3]([C:5]1[C:6]([O:22][C:23]2[CH:28]=[CH:27][CH:26]=[C:25]([NH2:29])[C:24]=2[CH3:37])=[CH:7][C:8](=[O:21])[N:9]([CH3:20])[C:10]=1[NH:11][C:12]1[CH:17]=[CH:16][C:15]([I:18])=[CH:14][C:13]=1[F:19])=[O:4] | 2 |
ClC1=C(C=CC=C1)C(C(=O)NC1CC(C1)(F)F)N(C(=O)[C@H]1N(C(N(C1)CC(=O)OCC)=O)C1=NC=CC=N1)C1=CC(=CC=C1)F>>ClC1=C(C=CC=C1)C(C(=O)NC1CC(C1)(F)F)N(C(=O)[C@H]1N(C(N(C1)CCO)=O)C1=NC=CC(=C1)C#N)C1=CC(=CC=C1)F | 5 |
FC1=CC=C(C(=C1C=O)O)OC>>BrC=1C=C(C(=C(C=O)C1F)O)OC | 5 |
C1(CCCCC1)CCN1C=C(C2=CC(=CC=C12)C)CCNC>CC#N.C(=O)(C(F)(F)F)O>C1(CCCCC1)CCN1C2=C(C3=CC(=CC=C13)C)CCN(C2)C | 3 |
[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][C:15]([N:17]2[CH2:22][CH2:21][CH:20]([OH:23])[CH2:19][CH2:18]2)=[O:16])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.[S:31](Cl)([CH3:34])(=[O:33])=[O:32]>C1(C)C=CC=CC=1>[CH2:1]([N:8]1[CH2:13][CH2:12][CH:11]([CH2:14][C:15]([N:17]2[CH2:22][CH2:21][CH:20]([O:23][S:31]([CH3:34])(=[O:33])=[O:32])[CH2:19][CH2:18]2)=[O:16])[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[N+](=O)([O-])C=1C=C2C=NN(C2=CC1)C1OCCCC1>CCO[H].C(C)(=O)OCC.[Pd]>O1C(CCCC1)N1N=CC2=CC(=CC=C12)N | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([S:14](Cl)(=[O:16])=[O:15])[CH:9]=2)=[CH:4][CH:3]=1.[CH3:18][C:19]1[CH:25]=[C:24]([N+:26]([O-:28])=[O:27])[CH:23]=[CH:22][C:20]=1[NH2:21].N1C=CC=CC=1>C(Cl)Cl>[CH3:18][C:19]1[CH:25]=[C:24]([N+:26]([O-:28])=[O:27])[CH:23]=[CH:22][C:20]=1[NH:21][S:14]([C:10]1[CH:9]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=2)[CH:13]=[CH:12][CH:11]=1)(=[O:16])=[O:15] | 2 |
C(C)(=O)OC=C.CC(C(=O)ONC(=O)C1=CC(=C(C=C1)Br)OC)(C)C>CO[H].C(C)(=O)[O-].[Cs+].Cl[Rh](C1(C(=C(C(=C1C)C)C)C)C)Cl>BrC=1C=C2C=CNC(C2=CC1OC)=O | 3 |
ClCC=O.NC=1N=NC(=CC1OC)Cl>O>ClC=1C=C(C=2N(N1)C=CN2)OC | 3 |
O.[NH2:2][C@H:3]([C:9]([OH:11])=[O:10])[CH2:4][CH2:5][CH2:6][CH2:7][NH2:8].[C:12]([CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]\[C@@H:20]1[CH2:24][C@@H:23]([NH:25][S:26]([C:29]2[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=2)(=[O:28])=[O:27])[CH2:22][N:21]1[S:36]([C:39]1[CH:44]=[CH:43][C:42]([Cl:45])=[CH:41][CH:40]=1)(=[O:38])=[O:37])([OH:14])=[O:13]>O.C(O)C>[NH2:2][C@H:3]([C:9]([OH:11])=[O:10])[CH2:4][CH2:5][CH2:6][CH2:7][NH2:8].[C:12]([CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]\[C@@H:20]1[CH2:24][C@@H:23]([NH:25][S:26]([C:29]2[CH:34]=[CH:33][C:32]([Cl:35])=[CH:31][CH:30]=2)(=[O:28])=[O:27])[CH2:22][N:21]1[S:36]([C:39]1[CH:40]=[CH:41][C:42]([Cl:45])=[CH:43][CH:44]=1)(=[O:38])=[O:37])([OH:14])=[O:13] | 1 |
Cl.NCC(=O)C1=CC=CC=C1.ClCS(=O)(=O)Cl>>ClCS(=O)(=O)NCC(=O)C1=CC=CC=C1 | 5 |
FC=1C=C(C=CC1[N+](=O)[O-])O.ClCC1=NN(C=C1)C>>FC=1C=C(OCC2=NN(C=C2)C)C=CC1[N+](=O)[O-] | 5 |
Cl.O(C1=CC=CC=C1)CC(N)=N.BrC(C(=O)C1=CC=C(C=C1)OC1=CC=C(C=C1)F)C>>FC1=CC=C(OC2=CC=C(C=C2)C=2N=C(NC2C)COC2=CC=CC=C2)C=C1 | 5 |
[CH2:1]([C:5]1[C:6]2[N:17]=[C:16]([C:18]3[CH:32]=[C:31]([CH3:33])[C:21]([O:22][CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])=[C:20]([CH3:34])[CH:19]=3)[O:15][C:7]=2[N:8]=[C:9](S(C)(=O)=O)[N:10]=1)[CH:2]([CH3:4])[CH3:3].[F:35][C:36]([F:41])([F:40])[CH2:37][CH2:38][OH:39]>>[CH2:1]([C:5]1[C:6]2[N:17]=[C:16]([C:18]3[CH:32]=[C:31]([CH3:33])[C:21]([O:22][CH2:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])=[C:20]([CH3:34])[CH:19]=3)[O:15][C:7]=2[N:8]=[C:9]([O:39][CH2:38][CH2:37][C:36]([F:41])([F:40])[F:35])[N:10]=1)[CH:2]([CH3:4])[CH3:3] | 1 |
ClC1=NC(=NC=C1)SC.CC1(OB(OC1(C)C)C=1C=NNC1)C>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(C)O.C1(=CC=CC=C1)C.O>CSC1=NC=CC(=N1)C=1C=NNC1 | 3 |
C[Si](C)(C)Cl.COC([C@H](CNC(C1=CC(=CC=C1)OCCCNC(=O)OC(C)(C)C)=O)NC(=O)C=1C(=NC(=NC1C)NCCCC1=CC(=CC=C1)O)C)=O>CO[H]>Cl.COC([C@H](CNC(C1=CC(=CC=C1)OCCCN)=O)NC(=O)C=1C(=NC(=NC1C)NCCCC1=CC(=CC=C1)O)C)=O | 3 |
C(C)(C)(C)OC(=O)N1N=C(C2=CC(=C(C=C12)NC1=C(C=CC=C1)Cl)C)C1=CC=CC=C1>>Cl.ClC1=C(C=CC=C1)NC1=C(C=C2C(=NNC2=C1)C1=CC=CC=C1)C | 5 |
ClC1=C(NC(=C1)C(=O)NCCO)C(=O)OC>>ClC1=C(NC(=C1)C(=O)NCCO)C(=O)O | 5 |
CB1OB(OB(O1)C)C.COC(C1=C(C=CC(=C1Br)N)Cl)=O>O.C([O-])([O-])=O.[K+].[K+].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]>NC=1C(=CC(=C(C(=O)OC)C1)Cl)C | 3 |
OB1OCC2=C1C=C(C=C2)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-]>>OC1=CC(=C(C=C1)S(=O)(=O)NC=1C=CC2=C(B(OC2)O)C1)[N+](=O)[O-] | 5 |
[C:1]([Si:5]([CH3:38])([CH3:37])[O:6][C@@H:7]1[C@@:26]2([CH3:27])[C:11](=[CH:12][CH:13]=[C:14]3[C@@H:25]2[CH2:24][CH2:23][C@@:22]2([CH3:28])[C@H:15]3[CH2:16][CH:17]=[C:18]2[C@H:19]([OH:21])[CH3:20])[CH2:10][C@@H:9]([O:29][Si:30]([C:33]([CH3:36])([CH3:35])[CH3:34])([CH3:32])[CH3:31])[CH2:8]1)([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].Br[CH2:42][CH:43]1[O:47][C:44]1([CH3:46])[CH3:45].C([BH-](C(CC)C)C(CC)C)(CC)C.[Li+].[OH-].[Na+].OO>O1CCCC1.C(OCC)(=O)C>[Si:5]([O:6][C@@H:7]1[C@@:26]2([CH3:27])[C:11](=[CH:12][CH:13]=[C:14]3[C@@H:25]2[CH2:24][CH2:23][C@@:22]2([CH3:28])[C@H:15]3[CH2:16][CH:17]=[C:18]2[C@H:19]([O:21][CH2:42][CH2:43][C:44]([OH:47])([CH3:46])[CH3:45])[CH3:20])[CH2:10][C@@H:9]([O:29][Si:30]([C:33]([CH3:36])([CH3:35])[CH3:34])([CH3:31])[CH3:32])[CH2:8]1)([C:1]([CH3:3])([CH3:2])[CH3:4])([CH3:38])[CH3:37] | 1 |
[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH:17][C:18]3[CH:27]=[CH:26][C:25]([CH:28]4[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]4)=[CH:24][C:19]=3[C:20]([O:22]C)=[O:21])=[CH:14][CH:15]=2)[CH:10]=[CH:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[OH-].[Na+].Cl.C(OCC)(=O)C>C(O)C>[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH:17][C:18]3[CH:27]=[CH:26][C:25]([CH:28]4[CH2:33][CH2:32][CH2:31][CH2:30][CH2:29]4)=[CH:24][C:19]=3[C:20]([OH:22])=[O:21])=[CH:14][CH:15]=2)[CH:10]=[CH:9]1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[C:4]([Cl:12])[C:3]=1[NH:13][NH2:14].[CH2:15]=[CH:16][CH2:17][C:18](=[N:22][OH:23])[C:19](=O)[CH3:20]>C(OCC)C>[Cl:1][C:2]1[CH:7]=[C:6]([C:8]([F:9])([F:11])[F:10])[CH:5]=[C:4]([Cl:12])[C:3]=1[NH:13][N:14]=[C:19]([CH3:20])[C:18](=[N:22][OH:23])[CH2:17][CH:16]=[CH2:15] | 1 |
FC(C1=C(C(=CC=C1)F)C1=CC(=NC=C1)C#N)(F)F>CCO[H].Cl.NO.C(O)([O-])=O.[Na+]>FC(C1=C(C(=CC=C1)F)C1=CC(=NC=C1)C(N)=NO)(F)F | 3 |
BrC=1C=CC(=C(C1)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)C)OC(F)F>C1(=CC=CC=C1)C.[H-].[Na+].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C1(=CC=CC=C1)S.CC1(C2=C(C(=CC=C2)P(C3=CC=CC=C3)C4=CC=CC=C4)OC5=C1C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7)C.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]>FC(OC1=C(C=C(C=C1)SC1=CC=CC=C1)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)C)F | 3 |
C(C)OC(=O)C=1N(C(=NC1)SC)COCC[Si](C)(C)C>>[K+].CSC1=NC=C(N1COCC[Si](C)(C)C)C(=O)[O-] | 5 |
[CH3:1][NH:2][C@H:3]1[CH2:6][C@H:5]([O:7][C:8]2[C:9]3[C:23]([C:24]4[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=4)=[CH:22][NH:21][C:10]=3[N:11]=[C:12]([NH:14][C:15]3[CH:16]=[N:17][N:18]([CH3:20])[CH:19]=3)[N:13]=2)[CH2:4]1.O.[C:31](Cl)(=[O:34])[CH:32]=[CH2:33]>C(OCC)(=O)C>[CH3:1][N:2]([C@H:3]1[CH2:6][C@H:5]([O:7][C:8]2[C:9]3[C:23]([C:24]4[CH:25]=[N:26][CH:27]=[CH:28][CH:29]=4)=[CH:22][NH:21][C:10]=3[N:11]=[C:12]([NH:14][C:15]3[CH:16]=[N:17][N:18]([CH3:20])[CH:19]=3)[N:13]=2)[CH2:4]1)[C:31](=[O:34])[CH:32]=[CH2:33] | 1 |
OC[C@H]1CN(CCO1)C(=O)OC(C)(C)C>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>C(=O)[C@H]1CN(CCO1)C(=O)OC(C)(C)C | 3 |
FC1=NC=CC(=N1)N(C1=NC(=NC=C1)C1=CC=CC=C1)C.NC(C)(C)C=1C=C(C=CC1)C[C@H](C)N>O1CCOCC1>NC(C)(C)C=1C=C(C=CC1)C[C@H](C)NC1=NC=CC(=N1)N(C1=NC(=NC=C1)C1=CC=CC=C1)C | 3 |
[C:1]1([N:7]=[C:8]=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH2:10][C:11]1[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][CH:12]=1>O1CCOCC1>[C:1]1([NH:7][C:8](=[O:9])[NH:10][C:11]2[CH:16]=[CH:15][C:14]([OH:17])=[CH:13][CH:12]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[C:1]([O:5][C:6](=[O:21])[NH:7][C@H:8]([C:18](F)=[O:19])[CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16]#[N:17])([CH3:4])([CH3:3])[CH3:2].[CH3:22][O:23][C:24]([C:26]1[N:27]=[C:28]([NH2:31])[S:29][CH:30]=1)=[O:25]>O1CCOCC1>[CH3:22][O:23][C:24]([C:26]1[N:27]=[C:28]([NH:31][C:18](=[O:19])[C@@H:8]([NH:7][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:21])[CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2[C:16]#[N:17])[S:29][CH:30]=1)=[O:25] | 1 |
CN.OC(C(C(=O)OCC)NC(=O)C=1C(=NN(C1)C)C(F)(F)F)C=C>>OC(C(C(NC)=O)NC(=O)C=1C(=NN(C1)C)C(F)(F)F)C=C | 5 |
[NH2:1][C:2]1[C:7]([OH:8])=[CH:6][CH:5]=[CH:4][N:3]=1.[O:9]1CCC[CH2:10]1>>[O:8]1[C:7]2[C:2](=[N:3][CH:4]=[CH:5][CH:6]=2)[NH:1][C:10]1=[O:9] | 1 |
C1(CC1)CN.BrCC1=C(C(=O)OC)C(=CC(=C1)Cl)[N+](=O)[O-]>CC#N.C([O-])([O-])=O.[K+].[K+]>ClC=1C=C2CN(C(C2=C(C1)[N+](=O)[O-])=O)CC1CC1 | 3 |
C(C)(C)(C)C=1NC2=C(C=C(C=C2C1)[N+](=O)[O-])CO>>NC=1C=C2C=C(NC2=C(C1)CO)C(C)(C)C | 5 |
C(C)(C)(C)OC(=O)N1[C@@H]2CN[C@H](C1)C2.BrC=1C(=NC=CC1)C>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+].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>CC1=NC=CC=C1N1[C@@H]2CN([C@H](C1)C2)C(=O)OC(C)(C)C | 3 |
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