smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
CC1NC(CNC1)C.ClC1=CC=C(C=C1)C(C(C1=CC=NC=C1)=C1SCS1)=O>>ClC1=CC=C(C=C1)C1=C(C(=NN1)N1CC(NC(C1)C)C)C1=CC=NC=C1 | 5 |
C(C)O.Cl.C(N)(=N)NC(OCC1=C(C(=CC=C1)N1CCN(CC1)C=1C=NC(=NC1)N1CC(C1)OC)F)=O>CCO[H]>Cl.Cl.Cl.C(N)(=N)NC(OCC1=C(C(=CC=C1)N1CCN(CC1)C=1C=NC(=NC1)N1CC(C1)OC)F)=O | 3 |
CN1CCNCC1.ClC1=CC=C2C(=NC=NC2=C1)NCCCC>N(C)(C)C=O.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].C(=O)([O-])[O-].[Cs+].[Cs+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1OC(C)C)OC(C)C)C1CCCCC1>C(CCC)NC1=NC=NC2=CC(=CC=C12)N1CC(NCC1)C | 3 |
[N+:1]([C:4]1[CH:9]=[C:8]([C:10](=[O:13])[CH2:11][CH3:12])[CH:7]=[CH:6][C:5]=1[NH:14]C(=O)C)([O-:3])=[O:2].N>Cl>[NH2:14][C:5]1[CH:6]=[CH:7][C:8]([C:10](=[O:13])[CH2:11][CH3:12])=[CH:9][C:4]=1[N+:1]([O-:3])=[O:2] | 1 |
CC(CO)(C(C1=CC=C(C=C1)OCC1=NC2=CC=CC=C2C=C1)C1=CC=C(C=C1)OCC1=NC2=CC=CC=C2C=C1)C>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>CC(C=O)(C(C1=CC=C(C=C1)OCC1=NC2=CC=CC=C2C=C1)C1=CC=C(C=C1)OCC1=NC2=CC=CC=C2C=C1)C | 3 |
BrCC(=O)OC.C12(CC3CC(CC(C1)C3)C2)C=2C=C(C=CC2O)C=2C=C3C=CC(=CC3=CC2)C(=O)OCC2=CC=CC=C2>N(C)(C)C=O.Cl.[H-].[Na+]>C12(CC3CC(CC(C1)C3)C2)C=2C=C(C=CC2OCC(=O)OC)C=2C=C3C=CC(=CC3=CC2)C(=O)OCC2=CC=CC=C2 | 3 |
[C:1]([OH:12])(=[O:11])[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][CH:3]=1.[OH-].[OH:14][CH2:15][CH2:16][N+:17]([CH3:20])([CH3:19])[CH3:18]>CO>[OH:14][CH2:15][CH2:16][N+:17]([CH3:20])([CH3:19])[CH3:18].[C:1]([OH:12])(=[O:11])[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][CH:3]=1 | 1 |
C1(=CC=CC=C1)C(N1C=NC(=C1)C=O)(C1=CC=CC=C1)C1=CC=CC=C1.BrC=1C=C2C=CC(=CC2=CC1)C(=O)NC.C(CCC)[Mg]CCCC.CCCCCCC>C1CCCO1.C(CCC)[Li]>OC(C=1C=C2C=CC(=CC2=CC1)C(=O)NC)C=1N=CN(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
C(C)(C)(C)OC(=O)N[C@H]1CNCCC1.O=C1NCC2(N3C1=CC=1C=CC(=CC31)C(=O)O)CCC2>>O=C1NCC2(N3C1=CC=1C=CC(=CC31)C(=O)N3C[C@@H](CCC3)NC(OC(C)(C)C)=O)CCC2 | 5 |
N1=CC=CC2=CC(=CC=C12)B(O)O.BrC=1N=CC(=NC1C1=NC=CC=C1)N>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>N1=C(C=CC=C1)C1=C(N=CC(=N1)N)C=1C=C2C=CC=NC2=CC1 | 3 |
[C:1]([C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=O)=[CH:16][CH:15]=1)[O:9][CH2:8][CH2:7][CH:6]2[C:23]([O:25][CH3:26])=[O:24])#[N:2].[C:27]([CH:31]1[CH2:36][CH2:35][CH:34]([NH2:37])[CH2:33][CH2:32]1)([CH3:30])([CH3:29])[CH3:28]>>[C:27]([CH:31]1[CH2:32][CH2:33][CH:34]([NH... | 1 |
C(C)OC(C(C(CCC)=O)Cl)=O.FC1=C(COC=2C(=NC=C(C2)C)N)C(=CC=C1)F>CCO[H]>FC1=C(COC=2C=3N(C=C(C2)C)C(=C(N3)CCC)C(=O)OCC)C(=CC=C1)F | 3 |
NCCCO.NC(=O)C1=C(C=CC(=C1)C(=O)NCC(C)(C)C)C1=CC(=CC(=C1C)F)C(=O)O>N(C)(C)C=O.CCN(CC)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>CC(CNC(=O)C=1C=C(C(=CC1)C1=CC(=CC(=C1C)F)C(=O)NCCCO)C(=O)N)(C)C | 3 |
O1C(CCCC1)N1N=CC=C1B1OC(C(O1)(C)C)(C)C.ClC1=NC=C(C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C=C1I>>ClC1=NC=C(C(=O)NC2=CC=C(C=C2)OC(F)(F)F)C=C1C1=CC=NN1C1OCCCC1 | 5 |
C(C)(=O)C=1C(=NC=C(C1)Br)NC>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>C(C)(=O)C=1C(=NC=C(C1)B1OC(C(O1)(C)C)(C)C)NC | 3 |
[OH-].[Na+].C[O:4][C:5](=[O:23])[C:6]1[CH:11]=[C:10]([S:12]([CH:15]([CH3:17])[CH3:16])(=[O:14])=[O:13])[N:9]=[C:8]([NH:18][CH:19]([CH2:21][CH3:22])[CH3:20])[CH:7]=1>CO>[C@@H:19]([NH:18][C:8]1[CH:7]=[C:6]([CH:11]=[C:10]([S:12]([CH:15]([CH3:16])[CH3:17])(=[O:14])=[O:13])[N:9]=1)[C:5]([OH:23])=[O:4])([CH2:21][CH3:22])[CH3... | 1 |
[CH2:1]([C:3]1[N:7]([C:8]2[N:16]=[C:15]3[C:11]([N:12]=[CH:13][N:14]3[CH3:17])=[C:10]([N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)[N:9]=2)[C:6]2[CH:24]=[CH:25][CH:26]=[CH:27][C:5]=2[N:4]=1)[CH3:2].CN(CCN(C)C)C.[Li]CCCC.[C:41]([O:45][C:46]([N:48]1[CH2:53][CH2:52][CH:51]([C:54](=[O:59])NCOC)[CH2:50][CH2:49]1)=[O:47])([... | 1 |
[CH3:1][C:2]1[NH:3][C:4]([CH3:28])=[C:5]([C:21]([O:23][CH2:24][CH2:25][CH2:26]Br)=[O:22])[CH:6]([C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([N+:18]([O-:20])=[O:19])[CH:13]=2)[C:7]=1[C:8]([O:10][CH3:11])=[O:9].[ClH:29].[C:30]1([C:36]2([C:42]3[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=3)[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]2)[CH:3... | 1 |
C(C1=CC=CC=C1)NO.[Si](C)(C)(C(C)(C)C)OC[C@@H](C=O)C>C(C)OCC>[Si](C)(C)(C(C)(C)C)OC[C@@H](C=[N+](CC1=CC=CC=C1)[O-])C | 3 |
N1=C(C=CC=C1)C=1CCNCC1.ClC=1C(=NC2=CC=C(C=C2N1)C(=O)OC)C1=CC=C(C=C1)F>CS(=O)C.C(C)(C)N(C(C)C)CC>FC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N=C1N1CC=C(CC1)C1=NC=CC=C1)C(=O)OC | 3 |
COC1=C(C=CC=C1)C(C)=O>O.C(C)(=O)OCC.O1CCOCC1.[Se](=O)=O>O.COC1=C(C=CC=C1)C(=O)C=O | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[Cl:9])[NH2:5].C(N(CC)CC)C.[C:17]1([S:23](Cl)(=[O:25])=[O:24])[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>ClCCl>[Br:1][C:2]1[CH:3]=[C:4]([NH:5][S:23]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)(=[O:25])=[O:24])[CH:6]=[CH:7][C:8]=1[Cl:9] | 1 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[C:2]1[C:10]([O:12][CH3:13])=[O:11].CC(C)([O-])C.[K+].C1COCC1.[N+:25](C1C=CC(C(ON)=O)=CC=1)([O-])=O>CN1CCCC1=O.[Cl-].[Na+].O.C1(C)C=CC=CC=1>[CH3:13][O:12][C:10]([C:2]1[N:1]([NH2:25])[C:9]2[C:4]([CH:3]=1)=[CH:5][CH:6]=[CH:7][CH:8]=2)=[O:11] | 2 |
BrC=1C=CC=C2C=NNC12.BrCC1=C(C=C(C=C1)Cl)F>N(C)(C)C=O.O.[OH-].[K+]>BrC1=CC=CC2=CN(N=C12)CC1=C(C=C(C=C1)Cl)F | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14](=[S:24])[O:15][CH2:16][C:17]2[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:32][C:33]([C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)=[O:34].O>CN(C=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:1... | 1 |
C(C1=CC=CC=C1)NC.IC1=CC=C(C=C1)C1=CC=C(C=C1)OC1CN2CCC1CC2>>N12CC(C(CC1)CC2)OC2=CC=C(C=C2)C2=CC=C(C=C2)N(C)CC2=CC=CC=C2 | 5 |
O1CCCC1.C([N-]C(C)C)(C)C.[Li+].[C:14]1([C:20]2[N:21]=[CH:22][O:23][C:24]=2[C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1.[CH3:31][O:32][C:33]1[CH:34]=[C:35]([CH2:39][CH:40]2[CH2:45][CH2:44][CH2:43][CH2:42][C:41]2=[O:46])[CH:36]=[CH:37][CH:38]=1.[Cl-].[NH4+]>C1CCCCC1.O1CCCC1.C(OCC... | 1 |
C(C)I.CN1C(=NC=C1CO)S>CC(C)(C)[O-].[K+].C1CCCO1>C(C)SC=1N(C(=CN1)CO)C | 3 |
[Br:1][C:2]1[N:7]=[C:6]([NH:8][CH2:9][CH2:10][CH2:11][N:12]2[CH2:17][CH2:16][CH2:15][CH2:14][CH2:13]2)[C:5]([NH2:18])=[CH:4][CH:3]=1.[CH3:19][O:20][C:21]1[CH:26]=[CH:25][C:24]([N:27]=[C:28]=S)=[CH:23][CH:22]=1.C(=O)(O)[O-].[Na+]>C1COCC1>[Br:1][C:2]1[N:7]=[C:6]2[N:8]([CH2:9][CH2:10][CH2:11][N:12]3[CH2:17][CH2:16][CH2:15... | 2 |
FC1=CC=C(C=C1)B(O)O.COC(C1=C(N=CC=C1)O)=O>>FC1=CC=C(C=C1)N1C(C(=CC=C1)C(=O)OC)=O | 5 |
C(CCCCCCCCCCC)C1=CSC=C1>BrBr.C(C)(=O)O>BrC=1SC=CC1CCCCCCCCCCCC | 3 |
C(C#CC)O.OC=1C=CC(=NC1)C(=O)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C#CC)OC=1C=CC(=NC1)C(=O)OC | 3 |
CC1=C(N)C(=CC=C1)C.ClCC(=O)N>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>CC1=C(NCC(=O)N)C(=CC=C1)C | 3 |
CN1CCN(CCC1)C(=S)S>O.[OH-].[Na+]>O.CN1CCN(CCC1)C(=S)[S-].[Na+] | 3 |
[Si:1]([O:8][C:9]1[CH:10]=[C:11](/[C:15](/[CH2:19][CH3:20])=[CH:16]/[CH2:17][OH:18])[CH:12]=[CH:13][CH:14]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2]>[O-2].[O-2].[Mn+4]>[Si:1]([O:8][C:9]1[CH:10]=[C:11](/[C:15](/[CH2:19][CH3:20])=[CH:16]/[CH:17]=[O:18])[CH:12]=[CH:13][CH:14]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([C... | 1 |
[C:1]([C:5]1[N:9]=[C:8]([S:10][CH:11]([NH:17][S:18]([CH3:21])(=[O:20])=[O:19])[NH:12][S:13]([CH3:16])(=[O:15])=[O:14])[NH:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:22][N:23]([CH3:27])[C:24](Cl)=[O:25]>>[CH3:22][N:23]([CH3:27])[C:24]([N:7]1[C:8]([S:10][CH:11]([NH:12][S:13]([CH3:16])(=[O:15])=[O:14])[NH:17][S:18]([CH3:21]... | 1 |
C(C=C)OC1(CCN(CC1)C1=C(C(=NC=2N1N=C(C2)C=CCC2=C(C=CC=C2)Br)C)[C@@H](C(=O)OCC)OC(C)(C)C)C>>C(C)(C)(C)O[C@H](C(=O)OCC)C1=C2N3CCC(OCC=CC=4C=CC=CC4CC=CC4=NN2C(N=C1C)=C4)(CC3)C | 5 |
[NH2:1][CH:2]1[CH2:7][CH2:6][N:5]([CH3:8])[CH2:4][CH2:3]1.[S:9]1[C:13]2[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=2[N:11]=[C:10]1[CH:18]([C:20]1[CH:25]=[CH:24][CH:23]=[C:22]([O:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH:21]=1)O.[Na].[C:32]([O-:37])(=[O:36])[C:33]([O-:35])=[O:34]>C1(C)C=CC=CC=1.CC(C)=O.C[C-]1C(C)=C(C)C(C)=C1C.C[... | 1 |
ClC=1C2=C(N=CN1)C=CS2.CS(=O)(=O)C=1C=C(N)C=CC1>>CS(=O)(=O)C=1C=C(C=CC1)NC=1C2=C(N=CN1)C=CS2 | 5 |
CN1C(=NN=C1)S.BrCC(=O)C1(CC1)C1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C1(CC1)C(CSC1=NN=CN1C)=O | 5 |
O1CCC(CC1)OC(NC1(CCCCC1)C(=O)N[C@H](C(C(=O)N[C@@H]1C(NCCCC1)=O)O)C(C)C)=O>>O1CCC(CC1)OC(NC1(CCCCC1)C(=O)N[C@H](C(C(=O)N[C@@H]1C(NCCCC1)=O)=O)C(C)C)=O | 5 |
[C:1]([NH:4][C:5]1[CH:6]=[C:7]([N:11]([C:16]2([C:42]([O:44][CH3:45])=[O:43])[CH2:21][CH2:20][N:19]([CH2:22][CH:23]([C:37]3[S:38][CH:39]=[CH:40][CH:41]=3)[C:24]([O:26]CC3C(C)=CC(C)=CC=3C)=[O:25])[CH2:18][CH2:17]2)[C:12](=[O:15])[CH2:13][CH3:14])[CH:8]=[CH:9][CH:10]=1)(=[O:3])[CH3:2].FC(F)(F)C(O)=O>>[C:1]([NH:4][C:5]1[CH... | 2 |
[CH3:1][N:2]([CH:6]([CH:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)[CH3:7])[C:3](=[O:5])[CH3:4].Cl[C:15]1[N:20]=[CH:19][CH:18]=[CH:17][N:16]=1.C(=O)([O-])[O-].[Na+].[Na+]>>[CH3:1][N:2]([CH:6]([CH:8]1[CH2:9][CH2:10][N:11]([C:15]2[N:20]=[CH:19][CH:18]=[CH:17][N:16]=2)[CH2:12][CH2:13]1)[CH3:7])[C:3](=[O:5])[CH3:4] | 1 |
[CH:1]([N:4]([CH:7]([CH3:9])C)CC)([CH3:3])C.[C:10](=[O:13])([O-:12])[O-].[Cs+].[Cs+].[C:16]([O:20][C:21](=[O:24])[CH2:22]Br)([CH3:19])([CH3:18])[CH3:17].[CH3:25]N(C)C=O>[Cl-].[Na+].O>[CH3:25][O:12][C:10]([CH:9]1[CH2:3][CH2:1][N:4]([CH2:22][C:21]([O:20][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:24])[CH2:7]1)=[O:13] | 1 |
CI.ClC1=CC=C(C=C1)C1C=2C(CCCC2NC=2C(C3=C(C(C12)=O)C=CC=C3)=O)=O>>ClC1=CC=C(C=C1)C1C=2C(CCCC2N(C=2C(C3=C(C(C12)=O)C=CC=C3)=O)C)=O | 5 |
Br[C:2]1[CH:3]=[C:4]([NH:10][C:11]2[CH:16]=[CH:15][C:14]([S:17]([CH3:20])(=[O:19])=[O:18])=[CH:13][N:12]=2)[C:5](=[O:9])[N:6]([CH3:8])[CH:7]=1.[C:21]([O:24][CH2:25][C:26]1[C:27]([N:41]2[CH2:53][CH2:52][N:44]3[C:45]4[CH2:46][CH2:47][CH2:48][CH2:49][C:50]=4[CH:51]=[C:43]3[C:42]2=[O:54])=[N:28][CH:29]=[CH:30][C:31]=1B1OC(... | 1 |
[N:1]1N=N[N:4]2[CH:9]=[C:8]([CH:10]3[O:15][CH2:14][C:13](=[O:16])[N:12]([C:17]([CH3:20])([CH3:19])[CH3:18])[CH2:11]3)[CH:7]=[CH:6][C:5]=12.O.O.Cl[Sn]Cl.Cl>CO>[NH2:1][C:5]1[N:4]=[CH:9][C:8]([CH:10]2[O:15][CH2:14][C:13](=[O:16])[N:12]([C:17]([CH3:20])([CH3:19])[CH3:18])[CH2:11]2)=[CH:7][CH:6]=1 | 1 |
BrC1=C(C=C(C=C1)I)F>N(C)(C)C=O.C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>FC=1C=C(CC=2N=CC3=C(C(=CC=C3C2)C2=CN(C=3N=CN=C(C32)N)CC)F)C=C(C1)F | 3 |
BrC[CH2:3][CH2:4][CH2:5][N:6]1[CH2:15][CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[C:7]1=[O:16].C1(=O)C2C(=CC=CC=2)CCN1.[Br:28]CCCCBr>>[Br:28][CH2:3][CH2:4][CH2:5][N:6]1[C:15]2[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=2)[CH2:9][CH2:8][C:7]1=[O:16] | 2 |
FC(C1=CC=C(CC2=CC(=NO2)C(=O)OCC)C=C1)(F)F>O.CO[H].[OH-].[Li+]>FC(C1=CC=C(CC2=CC(=NO2)C(=O)O)C=C1)(F)F | 3 |
[CH2:1]([O:8][C:9]([NH:11][CH2:12][CH2:13][S:14][CH2:15][C@H:16]([NH:20][C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])[C:17]([OH:19])=[O:18])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:28](O)[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.Cl.CN(C)CCCN=C=NCC>CN(C)C1C=CN=CC=1.ClCCl>[CH2:1]([O:8][C:9]([... | 1 |
FC(C=1C=C(CNC(=O)C2=CC(=NC=C2)C2=C(C=CC(=C2)N2CCCCC2)NC(=O)C=2C=C(C(=O)O)C=CC2)C=CC1)(F)F.COCCNC(=O)[C@@H]1CNCCC1>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>COCCNC(=O)[C@@H]1CN(CCC1)C(=O)C=1C=C(C(=O)NC2=C(C=C(C=C2)N2CCCCC2)C=2C=C(C(=O)NCC3=CC(=CC=C3)C(F)(F)F)C=CN2)C=CC1 | 3 |
[CH2:1]([O:8][C@H:9]1[CH2:13][C@@H:12]([O:14][Si](C)(C)C)[CH:11]=[C:10]1[CH2:19][O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H][H].Cl>O1CCCC1.[Pd].C(OCC)(=O)C.O>[CH2:1]([O:8][C@@H:9]1[C@H:10]([CH2:19][O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[... | 1 |
C(OC(=O)[NH:7][C@@H:8]1[CH2:12][CH2:11][N:10]([CH2:13][C:14]2[C:19]([O:20][C:21]([F:24])([F:23])[F:22])=[CH:18][C:17]([C:25](=[O:40])[NH:26][CH2:27][C:28]3[CH:33]=[C:32]([Cl:34])[CH:31]=[CH:30][C:29]=3[S:35]([CH2:38][CH3:39])(=[O:37])=[O:36])=[C:16]([NH2:41])[C:15]=2[Cl:42])[CH2:9]1)(C)(C)C.Cl.[C:45](OCC)(=[O:47])C>>[N... | 2 |
COC(C1=C(C=CC(=C1)Br)N)=O.FC(C=1C=C(C=CC1)CC(=O)Cl)(F)F>ClCCl.CCN(CC)CC>BrC=1C=CC(=C(C(=O)OC)C1)NC(CC1=CC(=CC=C1)C(F)(F)F)=O | 3 |
C(OC([NH:8][CH:9]1[CH2:17][C:16]2[C:11](=[CH:12][CH:13]=[CH:14][C:15]=2[C:18]([O:20][CH3:21])=[O:19])[CH2:10]1)=O)(C)(C)C.[ClH:22].O1CCOCC1>C(O)(=O)C>[ClH:22].[NH2:8][CH:9]1[CH2:17][C:16]2[C:11](=[CH:12][CH:13]=[CH:14][C:15]=2[C:18]([O:20][CH3:21])=[O:19])[CH2:10]1 | 1 |
[CH2:1]([NH:3][C:4]1[C:13]([CH:14]=[O:15])=[CH:12][C:11]2[CH:10]=[C:9]3[O:16][CH2:17][O:18][C:8]3=[CH:7][C:6]=2[N:5]=1)[CH3:2].[BH4-].[Na+].Cl.C([O-])(O)=O.[Na+]>C1COCC1.CCO>[CH2:1]([NH:3][C:4]1[C:13]([CH2:14][OH:15])=[CH:12][C:11]2[CH:10]=[C:9]3[O:16][CH2:17][O:18][C:8]3=[CH:7][C:6]=2[N:5]=1)[CH3:2] | 2 |
FC1=CC=C(C=C1)S.C(C1=CC=CC=C1)OC([C@@H](NC(=O)OC(C)(C)C)CCC(=O)O)=O>>C(C)(C)(C)OC(=O)N[C@H](C(=O)OCC1=CC=CC=C1)CCC(=O)SC1=CC=C(C=C1)F | 5 |
COC1=CC=C(CBr)C=C1.FC1=CC=C2C(=N1)NN=C2C(=O)OC(C)(C)C>CC(C)(C)[O-].[K+].C1CCCO1>FC1=CC=C2C(=N1)N(N=C2C(=O)OC(C)(C)C)CC2=CC=C(C=C2)OC | 3 |
Br.BrC=1C=CC=2N(C1C)CC(N2)(O)C(C(F)(F)F)(F)F>>BrC=1C=CC=2N(C1C)C=C(N2)C(C(F)(F)F)(F)F | 5 |
NC1=CC(=C(OC2=CC=NC3=CC(=C(C=C23)C(=O)OC(C)(C)C)OC)C=C1)F.ClC1=C(OC2=CC=NC3=CC(=C(C=C23)C(=O)OC)OC)C=CC(=C1)[N+](=O)[O-]>O.C1CCCO1.CO[H].[Fe].[Cl-].[NH4+]>NC1=CC(=C(OC2=CC=NC3=CC(=C(C=C23)C(=O)OC)OC)C=C1)Cl | 3 |
C(C)(C)(C)OC(NC(C1COCC1)C1=NC=C(C=C1CO)Cl)=O>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C(C)(C)(C)OC(=O)NC(C1=NC=C(C=C1COS(=O)(=O)C1=CC=C(C=C1)C)Cl)C1COCC1.C(C)(C)(C)OC(NC(C1COCC1)C1=NC=C(C=C1CCl)Cl)=O | 3 |
C(#N)\C(=C/N(CCC(=O)OCC)CC(=O)OC)\C=1C=NC=CC1>>NC1=C(NC(=C1C=1C=NC=CC1)CCC(=O)OCC)C(=O)OC | 5 |
ClC1=NC=2N(C=C1)N=CC2C(=O)OCC.C1OCC12CCNC2>CC#N.C(C)(C)N(C(C)C)CC>C1OCC12CCN(C2)C2=NC=1N(C=C2)N=CC1C(=O)OCC | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)=O.FC=1C=C(CBr)C=CC1F>C(C)OCC.Cl.[Mg].BrCCBr.O.O.O.O.C(=O)([O-])C(O)C(O)C(=O)[O-].[Na+].[K+]>FC=1C=C(CC2(CCN(CC2)C(=O)OC(C)(C)C)O)C=CC1F | 3 |
C1(CCC1)=O.BrC1=NC=C(N=C1)Cl>C1(=CC=CC=C1)C.C(CCC)[Li].[Cl-].[NH4+]>ClC=1N=CC(=NC1)C1(CCC1)O | 3 |
C1OC1.[NH2:4][C@@H:5]1[C:20](=[O:21])[N:7]2[C:8]([C:13]([O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:14])=[C:9]([CH3:12])[CH2:10][S:11][C@H:6]12.[O:22]([CH2:29][C:30](Cl)=[O:31])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>C(Cl)Cl>[CH3:12][C:9]1[CH2:10][S:11][C@@H:6]2[C@H:5]([NH:4][C:30](=[O:31])[CH2:29][O:22][C:23]3... | 1 |
OC(CN1C(N=C(C2=CC(=CC=C12)OCC#C)C1=CC=C(C=C1)C(C)C)=O)C1=C(C=C(C=C1C)C)C>>C(C)(C)C1=CC=C(C=C1)C1=NC(N(C2=CC=C(C=C12)OCC#C)\C=C\C1=C(C=C(C=C1C)C)C)=O | 5 |
C(CS)(=O)OCC.ClC1=NC(=CC(=C1C#N)C)C>CCO[H].C([O-])([O-])=O.[K+].[K+].CC(C)(C)O>NC1=C(SC2=NC(=CC(=C21)C)C)C(=O)OCC | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NCCCO>>C(C)(C)(C)OC(=O)NCCCO | 5 |
C(C1=CC=CC=C1)N1CC(CC1)N.ClC1=NC=C(C(=O)OC)C=C1>>C(C1=CC=CC=C1)N1CC(CC1)NC1=NC=C(C(=O)OC)C=C1 | 5 |
FC1(CN(CC1C)C1=CC(=NC=2N1N=CC2)C=2C(=NC(=NC2)OC)OC)F>CO[H].Cl>FC1(CN(CC1C)C1=CC(=NC=2N1N=CC2)C=2C(NC(NC2)=O)=O)F | 3 |
ClC1=C(OC2=C(C=CC=C2)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C=CC(=C1)Cl>O.CO[H].ClCCl.S(=O)(=O)([O-])S(=O)[O-].[Na+].[Na+]>NC1=CC=C(C=C1)S(=O)(=O)NC1=C(C=CC=C1)OC1=C(C=C(C=C1)Cl)Cl | 3 |
CN(/C(=C/C(=O)C=1SC=CC1NC(CC1=CC=CC2=CC=CC=C12)=O)/C)C>>CC1=CC(=NN1)C=1SC=CC1NC(CC1=CC=CC2=CC=CC=C12)=O | 5 |
C(C1=CC=CC=C1)OC=1C(=C(C=CC1)CNC1=NC=CN=C1Cl)F.C(C1=CC=CC=C1)OC=1C(=C(C=CC1)C(N1C(C2=CC=CC=C2C1=O)=O)C1=NC=CN=C1Cl)F>ClCCl.CCO[H].NN>NC=1C=2N(C=CN1)C(=NC2C2=C(C(=CC=C2)OCC2=CC=CC=C2)F)C2CCC2 | 3 |
CCC(COC(=O)[C@@H](N[P](=O)(OC1=CC=CC=C1)OC[C@H]2O[C@@]([C@H]3[C@@H]2OC(O3)(C)C)(C#N)C4=CC=C5[N]4N=CN=C5N)C)CC>C1CCCO1.Cl>NC1=NC=NN2C1=CC=C2[C@]2([C@@H]([C@@H]([C@H](O2)COP(=O)(OC2=CC=CC=C2)N[C@H](C(=O)OCC(CC)CC)C)O)O)C#N | 3 |
C1(=CC=CC=C1)C#C.IC=1C=C(C(=O)OC)C=CC1O>N(C)(C)C=O.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].CN(C(N(C)C)=N)C>COC(=O)C=1C=CC2=C(C=C(O2)C2=CC=CC=C2)C1 | 3 |
ClC(CCC(=O)OC)=O.FC=1C=C(C=CC1)Br>O.[Al](Cl)(Cl)Cl.ClCCCl>BrC1=CC(=C(C=C1)C(CCC(=O)OC)=O)F | 3 |
N(=[N+]=[N-])[C@H]1CN(C[C@@H]1OCCOC(C)C)C1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC)N=CC2C#N>[HH].C(C)(=O)OCC.[Pd]>N[C@H]1CN(C[C@@H]1OCCOC(C)C)C1=CC=C(C=N1)C=1C=2N(C=C(C1)OCC)N=CC2C#N | 3 |
C(C)(C)(C)OC(=O)NC1CCN(CC1)C=1N=CC2=C(N1)OC(=C2C2=CC=CC=C2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O>C1CCCO1.Cl.O1CCOCC1>Cl.Cl.NC1(CCC1)C1=CC=C(C=C1)C1=C(C2=C(N=C(N=C2)N2CCC(CC2)N)O1)C1=CC=CC=C1 | 3 |
[OH:1][C:2]1[C:3]2[N:4]([C:15]([CH3:19])=[C:16]([CH3:18])[N:17]=2)[CH:5]=[C:6]([N:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]2=[O:14])[CH:7]=1.Br[CH:21]1[C:29]2[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=2)[CH2:23][CH2:22]1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH:21]1([O:1][C:2]2[C:3]3[N:4]([C:15]([CH3:19])=[C:16]([CH3:18])[N:17]=... | 2 |
BrC1=NN(C=C1)C.ClC=1C=2C(N=CN1)=NN(C2)CC2=CC=C(C=C2)C(C)=O>>ClC=1C=2C(N=CN1)=NN(C2)CC2=CC=C(C=C2)C(C)(O)C2=NN(C=C2)C | 5 |
ClC1=NC=CC=C1[N+](=O)[O-].C1(=CC=CC=C1)S(=O)(=O)CCS>>C1(=CC=CC=C1)S(=O)(=O)CCSC1=NC=CC=C1[N+](=O)[O-] | 5 |
Cl.[NH2:2][CH2:3][C:4]([NH2:6])=[O:5].[OH-].[Na+].[I:9][C:10]1[CH:18]=[CH:17][CH:16]=[CH:15][C:11]=1[C:12](Cl)=[O:13]>O.O1CCCC1>[I:9][C:10]1[CH:18]=[CH:17][CH:16]=[CH:15][C:11]=1[C:12](=[O:13])[NH:2][CH2:3][C:4]([NH2:6])=[O:5] | 1 |
[Cl:1][C:2]1[C:7]([N+:8]([O-:10])=[O:9])=[C:6]([NH2:11])[CH:5]=[C:4]([C:12]([F:15])([F:14])[F:13])[N:3]=1.C(N(CC)CC)C.Cl[C:24]([O:26][CH2:27][CH3:28])=[O:25].CCOC(C)=O>CC1OCCC1>[CH2:27]([O:26][C:24](=[O:25])[NH:11][C:6]1[CH:5]=[C:4]([C:12]([F:13])([F:14])[F:15])[N:3]=[C:2]([Cl:1])[C:7]=1[N+:8]([O-:10])=[O:9])[CH3:28] | 1 |
[C:1]1([Se]Cl)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Br-].C1(S(Cl)=O)C=CC=CC=1.[OH:19][OH:20].C[CH2:22][O:23]CC>C(Cl)Cl>[C:22]([O:19][OH:20])(=[O:23])[C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C1(CCCC1)C(CC(CNC(OC(C)(C)C)=O)C)=O>C(=O)(C(F)(F)F)O>C1(CCCC1)C=1CCC(CN1)C | 3 |
IC=1C(=CC2=C(OCO2)C1)CO>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>IC=1C(=CC2=C(OCO2)C1)C=O | 3 |
[OH-].[Na+].[O:3]=[C:4]1[N:10]2[CH2:11][CH2:12][C@H:9]2[C:8]2=[C:13]([C:16]([O:18]CC)=[O:17])[N:14]=[CH:15][N:7]2[C:6]2[CH:21]=[CH:22][S:23][C:5]1=2>C(O)C.O>[O:3]=[C:4]1[N:10]2[CH2:11][CH2:12][C@H:9]2[C:8]2=[C:13]([C:16]([OH:18])=[O:17])[N:14]=[CH:15][N:7]2[C:6]2[CH:21]=[CH:22][S:23][C:5]1=2 | 1 |
[NH:1]([C:3]1[N:8]([CH2:9][CH:10]([CH3:12])[CH3:11])[C:7](=[O:13])[N:6]([CH3:14])[C:5](=[O:15])[CH:4]=1)[NH2:2].[CH:16]1[CH:21]=[C:20]2[C:22]([CH:25]=O)=[CH:23][S:24][C:19]2=[CH:18][CH:17]=1>CO>[CH2:9]([N:8]1[C:3]([NH:1][N:2]=[CH:25][C:22]2[C:20]3[CH:21]=[CH:16][CH:17]=[CH:18][C:19]=3[S:24][CH:23]=2)=[CH:4][C:5](=[O:15... | 1 |
[Cl:1][C:2]1[CH:35]=[CH:34][C:5]([O:6][C:7]2[CH:31]=[CH:30][C:10]([CH2:11][O:12][C:13]3[CH:14]=[C:15]4[N:22](C(OC(C)(C)C)=O)[CH2:21][CH2:20][N:16]4[C:17](=[O:19])[N:18]=3)=[CH:9][C:8]=2[C:32]#[N:33])=[CH:4][C:3]=1[C:36]([F:39])([F:38])[F:37].C(O)(C(F)(F)F)=O>C(Cl)Cl>[Cl:1][C:2]1[CH:35]=[CH:34][C:5]([O:6][C:7]2[CH:31]=[... | 1 |
[NH:1]1[C:5]2[CH:6]=[CH:7][C:8]([NH2:10])=[CH:9][C:4]=2[N:3]=[CH:2]1.[OH:11][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:21]=1[N:20]=[C:19]([CH:22]=O)[CH:18]=[CH:17]2.C([O:26][C:27](=O)[C:28](=[O:33])[CH2:29][C:30](=[O:32])[CH3:31])C>C(O)C>[C:30]([C:29]1[CH:22]([C:19]2[CH:18]=[CH:17][C:16]3[C:21](=[C:12]([OH:11])[CH:13]=[CH... | 1 |
N(=[N+]=[N-])C(CC=C)C=1C(=NC2=CC(=CC=C2C1)F)Cl>CO[H].O.O.[Sn](Cl)Cl>ClC1=NC2=CC(=CC=C2C=C1C(CC=C)N)F | 3 |
CN1CCCC2=CC=C(C=C12)C(=O)OC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CN1CCCC2=CC=C(C=C12)CO | 3 |
Cl.[CH2:2]([CH:4]1[CH2:9][CH2:8][CH2:7][CH2:6][N:5]1[C:10]1[CH:18]=[CH:17][C:13]([C:14]([OH:16])=O)=[CH:12][C:11]=1[CH2:19][O:20][CH3:21])[CH3:3].[NH2:22][C:23](=[N:42]O)[C:24]1[CH:33]=[C:32]2[C:27]([CH2:28][CH2:29][N:30]([CH2:34][C:35]([O:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:36])[CH2:31]2)=[CH:26][CH:25]=1>CCOC(C... | 1 |
CN(S(=O)(=O)C)C1=CC=C(C(=O)OC)C=C1.C1(=CC=CC=C1)N1CC(N(CC1)CC1=CC=CC=C1)CN>C1(=CC=CC=C1)C.[OH-].[Na+].C[Al](C)C>CN(C1=CC=C(C(=O)NCC2N(CCN(C2)C2=CC=CC=C2)CC2=CC=CC=C2)C=C1)S(=O)(=O)C | 3 |
BrC=1C=CC2=C(C(C(O2)(C(=O)OCC)C=2C(=NC=CC2)[N+](=O)[O-])=O)C1>[Fe].C(C)(=O)O>BrC=1C=CC2=C(C(C3(C(NC4=NC=CC=C43)=O)O2)=O)C1 | 3 |
FC1C=C2C(C(I)=CN2S(C2C=CC=CC=2)(=O)=O)=CC=1.C1(S([N:30]2[C:38]3[C:33](=[CH:34][CH:35]=[C:36]([F:39])[CH:37]=3)[C:32]([C:40]3[CH:41]=[CH:42][C:43]4[O:47][C:46]([CH2:48][NH:49][S:50]([CH3:53])(=[O:52])=[O:51])=[N:45][C:44]=4[CH:54]=3)=[CH:31]2)(=O)=O)C=CC=CC=1>>[F:39][C:36]1[CH:37]=[C:38]2[C:33]([C:32]([C:40]3[CH:41]=[CH... | 2 |
COC1=CC=C(CNC=2SC=CN2)C=C1.ClC1=CC=NC2=CC(=CC=C12)S(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC1=CC=NC2=CC(=CC=C12)S(=O)(=O)N(C=1SC=CN1)CC1=CC=C(C=C1)OC | 3 |
C(C)OC(C(CC(C1=C(N=CO1)C)=O)=O)=O>CCO[H].O.NN>C(C)OC(=O)C1=NNC(=C1)C1=C(N=CO1)C | 3 |
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