smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)O.C(C)(=O)C1=C(OCC#N)C=C(C(=C1)C=1SC=CC1)OC>>COC1=CC(=C(C=O)C=C1C=1SC=CC1)OCC1=NN=NN1 | 5 |
C(#N)[C@H](C[C@H]1C(NCC1)=O)NC([C@H](CC1CC1)N1C(C(=CC=C1)[N+](=O)[O-])=O)=O>C1CCCO1.CO[H].[HH].[Pd]>NC=1C(N(C=CC1)[C@H](C(=O)N[C@@H](C[C@H]1C(NCC1)=O)C#N)CC1CC1)=O | 3 |
Cl[C:2]1[C:3]2[CH2:11][N:10]([C:12]3[CH:19]=[CH:18][C:17]([CH3:20])=[CH:16][C:13]=3[C:14]#[N:15])[CH2:9][CH2:8][C:4]=2[N:5]=[CH:6][N:7]=1.Cl.[N:22]1[C:31]2[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=2)[CH:25]=[CH:24][C:23]=1[CH2:32][NH2:33].C(N(CC)C(C)C)(C)C>C(#N)C>[CH3:20][C:17]1[CH:18]=[CH:19][C:12]([N:10]2[CH2:9][CH2:8][C:4]3[N:5]=[CH:6][N:7]=[C:2]([NH:33][CH2:32][C:23]4[CH:24]=[CH:25][C:26]5[C:31](=[CH:30][CH:29]=[CH:28][CH:27]=5)[N:22]=4)[C:3]=3[CH2:11]2)=[C:13]([CH:16]=1)[C:14]#[N:15] | 1 |
[C:1]([NH:9][C@H:10]([C:18]([OH:20])=O)[CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl.[NH2:22][C@H:23]([C:32]([O:34][CH3:35])=[O:33])[CH2:24][C:25]1[CH:30]=[CH:29][C:28]([OH:31])=[CH:27][CH:26]=1.ON1C(=O)CCC1=O.C1(N=C=NC2CCCCC2)CCCCC1>C(Cl)(Cl)Cl.O1CCCC1.C(N(CC)CC)C>[C:1]([NH:9][C@H:10]([C:18]([NH:22][C@H:23]([C:32]([O:34][CH3:35])=[O:33])[CH2:24][C:25]1[CH:26]=[CH:27][C:28]([OH:31])=[CH:29][CH:30]=1)=[O:20])[CH2:11][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=1)(=[O:8])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[C:1]([O-])(C)(C)[CH3:2].[K+].[CH3:7][O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16](=O)[C:17]([O:19][CH3:20])=[O:18].O>[Br-].C([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C.O1CCCC1>[CH3:7][O:8][CH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[C:16](=[CH:1][CH3:2])[C:17]([O:19][CH3:20])=[O:18] | 1 |
[OH:1][C:2]1[CH:13]=[CH:12][C:5]2[NH:6]C(=O)[O:8][C:9](=O)[C:4]=2[CH:3]=1.[CH3:14][NH2:15]>C(O)C>[NH2:6][C:5]1[CH:12]=[CH:13][C:2]([OH:1])=[CH:3][C:4]=1[C:9]([NH:15][CH3:14])=[O:8] | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:28]2[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[CH:30][CH:29]=2)[CH:5]=[CH:6][C:7]=1[C:8]([NH:10][C@H:11]([C:18]([O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:19])[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[O:9].[N:36]([C:39]1[C:44]([CH3:45])=[CH:43][C:42]([CH3:46])=[CH:41][C:40]=1[CH3:47])=[C:37]=[O:38]>N1C=CC=CC=1>[CH3:35][O:34][C:31]1[CH:30]=[CH:29][C:28]([C:4]2[CH:5]=[CH:6][C:7]([C:8]([NH:10][C@H:11]([C:18]([O:20][CH2:21][C:22]3[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=3)=[O:19])[CH2:12][C:13]([O:15][CH2:16][CH3:17])=[O:14])=[O:9])=[C:2]([NH:1][C:37]([NH:36][C:39]3[C:40]([CH3:47])=[CH:41][C:42]([CH3:46])=[CH:43][C:44]=3[CH3:45])=[O:38])[CH:3]=2)=[CH:33][CH:32]=1 | 2 |
C(O)(=O)/C=C/C(O)=[O:5].[CH2:9]([NH:12][C:13]([C:15]1[CH:28]=[CH:27][C:26]2[S:25][C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[N:18]([CH:29]([CH3:36])[CH2:30][N:31]3[CH2:35][CH2:34][CH2:33][CH2:32]3)[C:17]=2[CH:16]=1)=S)[CH2:10][CH3:11]>C(O)C.O>[CH2:9]([NH:12][C:13]([C:15]1[CH:28]=[CH:27][C:26]2[S:25][C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[N:18]([CH:29]([CH3:36])[CH2:30][N:31]3[CH2:35][CH2:34][CH2:33][CH2:32]3)[C:17]=2[CH:16]=1)=[O:5])[CH2:10][CH3:11] | 1 |
FC1=C(C(=O)Cl)C=CC=C1.FC1=C(C=CC=C1)B(O)O>>FC1=C(C=CC=C1)C(=O)C1=C(C=CC=C1)F | 5 |
C(Cl)(=O)C(Cl)=O.Cl.[CH3:8][N:9]([CH3:16])[CH2:10]/[CH:11]=[CH:12]/[C:13](O)=[O:14].[NH2:17][C:18]1[CH:19]=[C:20]2[C:25](=[CH:26][C:27]=1[O:28][CH2:29][CH3:30])[N:24]=[CH:23][C:22]([C:31]#[N:32])=[C:21]2[NH:33][C:34]1[CH:39]=[CH:38][C:37]([O:40][CH2:41][C:42]2[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=2)=[C:36]([Cl:48])[CH:35]=1.C(=O)(O)[O-].[Na+]>C(#N)C.CN1CCCC1=O.CN(C)C=O>[CH2:41]([O:40][C:37]1[CH:38]=[CH:39][C:34]([NH:33][C:21]2[C:20]3[C:25](=[CH:26][C:27]([O:28][CH2:29][CH3:30])=[C:18]([NH:17][C:13](=[O:14])/[CH:12]=[CH:11]/[CH2:10][N:9]([CH3:16])[CH3:8])[CH:19]=3)[N:24]=[CH:23][C:22]=2[C:31]#[N:32])=[CH:35][C:36]=1[Cl:48])[C:42]1[CH:43]=[CH:44][CH:45]=[CH:46][CH:47]=1 | 1 |
S(=O)(=O)(O)O.CNN.C(C)OC=C(C#N)C#N>CO[H].CCN(CC)CC>NC1=C(C=NN1C)C#N | 3 |
CCC(=C)CC\C=C(/C)\CCC=C(C)C>C1(=CC=CC=C1)C.[Na].C1=CC=CC2=CC=CC=C12>C\C(=C/CC=C)\CC\C=C(\CCC=C(C)C)/C | 3 |
ClC=1C=C(C=CC1)S(=O)(=O)Cl.C(C)(C)C=1C=C(N)C=C(C1)C1=CN=CO1>c1ccncc1>ClC=1C=C(C=CC1)S(=O)(=O)NC1=CC(=CC(=C1)C1=CN=CO1)C(C)C | 3 |
Cl[C:2]1[C:7]([Cl:8])=[CH:6][C:5]([C:9]([F:12])([F:11])[F:10])=[CH:4][N:3]=1.[CH2:13]([OH:15])C.[C]=[O:17].C(N([CH2:23][CH3:24])CC)C>[Cl-].[Cl-].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Pd+2]>[CH2:23]([O:17][C:13]([C:2]1[C:7]([Cl:8])=[CH:6][C:5]([C:9]([F:12])([F:11])[F:10])=[CH:4][N:3]=1)=[O:15])[CH3:24] | 1 |
C[O:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([N:11]2[C:15](=[O:16])[NH:14][C:13]([CH:17]([C:31]3[CH:36]=[C:35]([O:37][CH3:38])[CH:34]=[C:33]([O:39][CH2:40][CH2:41][F:42])[C:32]=3[F:43])[NH:18][C:19]3[CH:24]=[CH:23][C:22]([C:25]4[N:29]=[C:28]([CH3:30])[O:27][N:26]=4)=[CH:21][CH:20]=3)=[N:12]2)[N:6]=1)=[O:4].C1COCC1.[OH-].[Na+].C(O)(=O)C>CO>[F:43][C:32]1[C:33]([O:39][CH2:40][CH2:41][F:42])=[CH:34][C:35]([O:37][CH3:38])=[CH:36][C:31]=1[CH:17]([NH:18][C:19]1[CH:24]=[CH:23][C:22]([C:25]2[N:29]=[C:28]([CH3:30])[O:27][N:26]=2)=[CH:21][CH:20]=1)[C:13]1[NH:14][C:15](=[O:16])[N:11]([C:7]2[N:6]=[C:5]([C:3]([OH:4])=[O:2])[CH:10]=[CH:9][CH:8]=2)[N:12]=1 | 1 |
CC=1N=CSC1C=O.N1=CN=C(C2=C1CNC2)NC=2C=NC1=CC=CC=C1C2>CO[H].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>CC=1N=CSC1CN1CC=2N=CN=C(C2C1)NC=1C=NC2=CC=CC=C2C1 | 3 |
CNC(C1=CC(=C(C=C1)C=1N=C2N(C=CC(=C2)C)C1)C)=O>BrBr.CCO[H]>BrC1=C(N=C2N1C=CC(=C2)C)C2=C(C=C(C(=O)NC)C=C2)C | 3 |
N[C@@H](CC)C=1N(C(C2=C(C=CC=C2C1)Cl)=O)C1CC1.ClC1=C(C(=NC=N1)N)C1=NOC(=N1)C>>NC1=C(C(=NC=N1)N[C@@H](CC)C=1N(C(C2=C(C=CC=C2C1)Cl)=O)C1CC1)C1=NOC(=N1)C | 5 |
C1COCCN1.C(C)C1CCC(CC1)=O>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C)OC(C=C1C(=CCC(C1)CC)N1CCOCC1)=O | 3 |
C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O.OC=1C=C(C=CC1O)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1=CC2=C(OC(O2)=O)C=C1 | 5 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9](=O)[CH2:10]C)=[CH:5][CH:4]=1.C([O:15][CH:16](OCC)[O:17]CC)C.Cl(O)(=O)(=O)=O.CO>[OH-].[K+].O>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([CH:9]([CH3:10])[C:16]([OH:17])=[O:15])=[CH:7][CH:8]=1 | 2 |
ClC=1C=C(C=O)C=CC1C>>ClC=1C=C(C=NO)C=CC1C | 5 |
C(C)(C)(C)OC(=O)NC1(C(CCC1)O)C(=O)OC>>C(C)(C)(C)OC(=O)NC1(C(CCC1)O[Si](C)(C)C(C)(C)C)C(=O)OC | 5 |
Cl[C:2]1[N:7]=[CH:6][C:5]([F:8])=[CH:4][N:3]=1.[CH3:9][S-:10].[Na+]>CN(C=O)C.CCOC(C)=O>[F:8][C:5]1[CH:4]=[N:3][C:2]([S:10][CH3:9])=[N:7][CH:6]=1 | 2 |
IC=1C(=NNC1)C.FC(C1=C(C=CC(=C1)C(F)(F)F)C(C)O)(F)F>C1CCCO1.N(=NC(=O)OC(C)C)C(=O)OC(C)C.C=1C=CC(=CC1)C=2C3=CC=C(N3)C(=C4NC(=C(C5=NC(=C(C=6C=CC2N6)C=7C=CC=CC7)C=C5)C=8C=CC=CC8)C=C4)C=9C=CC=CC9>FC(C1=C(C=CC(=C1)C(F)(F)F)C(C)N1N=C(C(=C1)I)C)(F)F | 3 |
ClC=1C(=NC(=NC1)NC1=CC(=C(C=C1OC)N(CCO)C)[N+](=O)[O-])C1=CN2C3=C(C=CC=C13)OCC2>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl.[Cl-].[NH4+]>CS(=O)(=O)OCCN(C)C1=C(C=C(C(=C1)OC)NC1=NC=C(C(=N1)C1=CN2C3=C(C=CC=C13)OCC2)Cl)N | 3 |
C(C)(C)(C)OC(=O)N1CCC2(CC1)CC(C1=CC=CC=C12)O>>O=C1CC2(CCN(CC2)C(=O)OC(C)(C)C)C2=CC=CC=C12 | 5 |
OC(C1CN(CCC1)C(=O)OCC1=CC=CC=C1)C=1C2=C(N=CN1)N(C=C2)COCC[Si](C)(C)C>>C[Si](CCOCN1C=CC2=C1N=CN=C2C(=O)C2CN(CCC2)C(=O)OCC2=CC=CC=C2)(C)C | 5 |
[C:1]([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1/[CH:14]=[CH:15]\[CH3:16])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2]>C(O)C.[Pd]>[C:1]([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1[CH2:14][CH2:15][CH3:16])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2] | 1 |
C(C)(C)(C)C#C.COC(=O)C=1SC(=CC1NC(=O)OC(C)(C)C)Br>>COC(=O)C=1SC(=CC1NC(=O)OC(C)(C)C)C#CC(C)(C)C | 5 |
CN1CCN(CC1)C1=C(C=O)C=CC=C1>C(C)(C)O.C(C)(=O)Cl>Cl.CN1CCN(CC1)C1=C(C=O)C=CC=C1 | 3 |
Br[C:2]1[C:3](=[O:30])[C:4]2[C:9]([C:10]=1[C:11]1[CH:16]=[CH:15][C:14]([F:17])=[CH:13][C:12]=1[F:18])=[CH:8][CH:7]=[C:6]([O:19][CH2:20][CH2:21][N:22]1[CH2:27][CH2:26][S:25](=[O:29])(=[O:28])[CH2:24][CH2:23]1)[CH:5]=2.O1CCN(CCOC2C=C3C(C(C4C=CC=CC=4)=C(Br)C3=O)=CC=2)CC1.[N:57]1[C:66]2[C:61](=[CH:62][CH:63]=[CH:64][CH:65]=2)[CH:60]=[C:59](B(O)O)[CH:58]=1>>[F:18][C:12]1[CH:13]=[C:14]([F:17])[CH:15]=[CH:16][C:11]=1[C:10]1[C:9]2[C:4](=[CH:5][C:6]([O:19][CH2:20][CH2:21][N:22]3[CH2:27][CH2:26][S:25](=[O:28])(=[O:29])[CH2:24][CH2:23]3)=[CH:7][CH:8]=2)[C:3](=[O:30])[C:2]=1[C:59]1[CH:58]=[N:57][C:66]2[C:61]([CH:60]=1)=[CH:62][CH:63]=[CH:64][CH:65]=2 | 1 |
C(O[C:4]([C:6]1[S:10][C:9]2[CH:11]=[C:12]([CH:15]=O)[CH:13]=[CH:14][C:8]=2[CH:7]=1)=[O:5])C.[CH2:17]([NH2:24])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(O)(=O)C.C([O-])(O)=O.[Na+].Cl.[NH2:49][OH:50].C[O-].[Na+]>ClC(Cl)C>[OH:50][NH:49][C:4]([C:6]1[S:10][C:9]2[CH:11]=[C:12]([CH2:15][NH:24][CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[CH:13]=[CH:14][C:8]=2[CH:7]=1)=[O:5] | 1 |
Cl.[CH3:2][Si:3]([CH3:10])([O:7][CH2:8][CH3:9])[O:4][CH2:5][CH3:6].[CH2:11]([Si:19]([O:26][CH2:27][CH3:28])([O:23][CH2:24][CH3:25])[O:20][CH2:21][CH3:22])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].C1CC2C(C=C(N3CC3)C(=O)C=2CC1)=O.[OH-].[Na+].C[Si](C)(C)Cl>>[CH3:2][Si:3]([CH3:10])([O:7][CH2:8][CH3:9])[O:4][CH2:5][CH3:6].[CH2:11]([Si:19]([O:26][CH2:27][CH3:28])([O:20][CH2:21][CH3:22])[O:23][CH2:24][CH3:25])[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18] | 2 |
[CH:1](=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:9][O:10][C:11](=[O:14])[CH2:12][NH2:13]>>[CH3:9][O:10][C:11](=[O:14])[C@H:12]([CH:1]([C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[OH:8])[NH2:13] | 1 |
ClC1=C2C=CC=NC2=C(C=C1)O>>ClC1=C2C=CC=NC2=C(C=C1)OS(=O)(=O)C(F)(F)F | 5 |
ICI.C(C)OC(=O)C=1SC(=C(C1N)C#N)SC>>C(#N)C=1C(=C(SC1SC)C(=O)OCC)I | 5 |
CN(CCCO)C.O1C(=CC2=C1C=CC=C2)C2=NC1=CC=CC=C1C(=N2)Cl>>O1C(=CC2=C1C=CC=C2)C2=NC1=CC=CC=C1C(=N2)NCCCO | 5 |
BrCC1CCCCC1.ClC=1C=C(C=CC1)NC1=NC=C(C(=N1)C(F)(F)F)CO>>ClC=1C=C(C=CC1)NC1=NC=C(C(=N1)C(F)(F)F)COCC1CCCCC1 | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9]=[C:8](B1OC(C)(C)C(C)(C)O1)[CH:7]=[CH:6]2.[Cl:22][C:23]1[CH:24]=[C:25]([CH2:29][N:30]2[CH:34]=[CH:33][N:32]=[C:31]2[CH3:35])[N:26]=[N:27][CH:28]=1>>[ClH:22].[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][CH:12]=1)[CH:9]=[C:8]([C:23]1[CH:24]=[C:25]([CH2:29][N:30]3[CH:34]=[CH:33][N:32]=[C:31]3[CH3:35])[N:26]=[N:27][CH:28]=1)[CH:7]=[CH:6]2 | 1 |
ClC=1C(=NC(=C(C1)Cl)F)OCC(=O)O>ClS(Cl)=O>ClC=1C(=NC(=C(C1)Cl)F)OCC(=O)Cl | 3 |
CS(=O)(=O)Cl.FC(C1=NC2=C(N1C1=NC(=NC(=N1)N1CCNCC1)N1CC3CCC(C1)O3)C=CC=C2OC)F>ClCCl.C([O-])([O-])=O.[K+].[K+]>FC(C1=NC2=C(N1C1=NC(=NC(=N1)N1CCN(CC1)S(=O)(=O)C)N1CC3CCC(C1)O3)C=CC=C2OC)F | 3 |
[N+](=[N-])=CC(=O)OCC.OC1CCC(CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=C(N2)C>C1(=CC=CC=C1)C.C(C)(=O)[O-].[Rh+3].C(C)(=O)[O-].C(C)(=O)[O-]>C(#N)C1=C(C=CC=C1)C1=CC=C(C=C1)CC=1C(N(C=2N(C1CCC)N=C(N2)C)C2CCC(CC2)OCC(=O)OCC)=O | 3 |
C(C)(C)(C)OC([C@@H](NC(=O)OC(C)(C)C)CCC(=O)O)=O.[N+](=O)([O-])OCC#CCO>>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)CCC(=O)OCC#CCO[N+](=O)[O-] | 5 |
ClC1=CC(=C(OC2=NC(=CC(=C2[N+](=O)[O-])NC(CC)CC)C)C(=C1)C)C>[Fe].C(C)(=O)O.O>ClC1=CC(=C(OC2=NC(=CC(=C2N)NC(CC)CC)C)C(=C1)C)C | 3 |
C1(N2CC[O:9]CC2)CCCC=1.[CH3:12][C:13]1[CH:20]=[CH:19][C:16]([CH:17]=O)=[CH:15][CH:14]=1.Cl.[CH:22]1[CH:27]=[CH:26][CH:25]=[CH:24]C=1>>[CH3:12][C:13]1[CH:20]=[CH:19][C:16]([CH:17]=[C:24]2[CH2:25][CH2:26][CH2:27][C:22]2=[O:9])=[CH:15][CH:14]=1 | 1 |
FC1CCCN(C([O-])=O)C1.O=P(Cl)(Cl)[Cl:13].[CH2:16]([O:23][C:24]([N:26]1[CH2:31][CH2:30][C@@H:29]([O:32][C:33]2[CH:34]=[CH:35][CH:36]=[C:37]3[C:42]=2[N+:41]([O-])=[CH:40][CH:39]=[CH:38]3)[C@H:28]([F:44])[CH2:27]1)=[O:25])[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>C(OCC)(=O)C.C1(C)C=CC=CC=1.CN(C=O)C>[Cl:13][C:40]1[CH:39]=[CH:38][C:37]2[C:42](=[C:33]([O:32][C@@H:29]3[CH2:30][CH2:31][N:26]([C:24]([O:23][CH2:16][C:17]4[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=4)=[O:25])[CH2:27][C@H:28]3[F:44])[CH:34]=[CH:35][CH:36]=2)[N:41]=1 | 1 |
N#CBr.FC=1C(=C2C(=C(NC2=C(C1)C(=O)N)C)C)N[C@@H]1CNCC1>CC#N.N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)N1C[C@H](CC1)NC1=C2C(=C(NC2=C(C=C1F)C(=O)N)C)C | 3 |
CCO[H].O=C1NC=NC2=C(C=CC=C12)C(=O)O>>C(C)OC(=O)C=1C=CC=C2C(=NC=NC12)O | 5 |
[N+:1]([CH:4]([CH:6]([OH:11])[CH2:7][CH2:8][CH2:9][CH3:10])[CH3:5])([O-])=O.O1CCNC1>[Ni].CO>[NH2:1][CH:4]([CH:6]([OH:11])[CH2:7][CH2:8][CH2:9][CH3:10])[CH3:5] | 1 |
S1C(=CC2=C1C1=C(OCC2)C=CC=C1)C(=O)Cl.ClC=1C=C(C(=O)OC)C=CC1NCCO[Si](C)(C)C(C)(C)C.CC1(C(C(N=[SiH][SiH2]1)(C)C)(C)C)C.[Na]>>[Si](C)(C)(C(C)(C)C)OCCN(C(=O)C1=CC2=C(C3=C(OCC2)C=CC=C3)S1)C1=C(C=C(C(=O)OC)C=C1)Cl | 5 |
C([NH:4][C:5]1[CH:6]=[C:7]([CH:14]=[C:15]([NH:17]C(=O)C)[N:16]=1)[C:8](N(OC)C)=[O:9])(=O)C.[F:21][C:22]1[CH:27]=[CH:26][C:25]([Mg]Br)=[CH:24][CH:23]=1.Cl>C1COCC1>[NH2:17][C:15]1[CH:14]=[C:7]([C:8]([C:25]2[CH:26]=[CH:27][C:22]([F:21])=[CH:23][CH:24]=2)=[O:9])[CH:6]=[C:5]([NH2:4])[N:16]=1 | 1 |
NC1=NC=2N(C=C1)N=C(C2C2=CC(=NC(=C2)C)C(=O)OC(C)C)C2=CC(=CC=C2)C#N>CO[H].[OH-].[Na+]>NC1=NC=2N(C=C1)N=C(C2C2=CC(=NC(=C2)C)C(=O)O)C2=CC(=CC=C2)C#N | 3 |
ClC1=NC(=NC=C1)COC>ClCCl.N1CCCCC1>COCC1=NC=CC(=N1)N1CCCCC1 | 3 |
C(OC([NH:8][C@@H:9]([CH2:22][CH2:23][C:24]([NH:26][CH:27]1[CH2:35][C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28]1)=[O:25])[C:10]([NH:12][CH:13]1[CH2:21][C:20]2[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH2:14]1)=[O:11])=O)(C)(C)C.[ClH:36].O1CCOCC1>>[ClH:36].[NH2:8][C@@H:9]([CH2:22][CH2:23][C:24]([NH:26][CH:27]1[CH2:35][C:34]2[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=2)[CH2:28]1)=[O:25])[C:10]([NH:12][CH:13]1[CH2:14][C:15]2[C:20](=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:21]1)=[O:11] | 2 |
O[C@@H](C(=O)O)CC1=NC=CC=N1>ClS(Cl)=O.C(C)(C)O>O[C@@H](C(=O)OC(C)C)CC1=NC=CC=N1 | 3 |
C(C=C)(=O)O.C(C=C)(=O)Cl.NC=1C=C2C(=NC=NC2=CC1OCCCN1CCN(CC1)C1CC(OC1)=O)NC1=CC(=C(C=C1)F)Cl>C1CCCO1.CCN(CC)CC>ClC=1C=C(C=CC1F)NC1=NC=NC2=CC(=C(C=C12)NC(=O)C=C)OCCCN1CCN(CC1)C1CC(OC1)=O | 3 |
C(C=C)B1OC(C(O1)(C)C)(C)C.N1C(=NC=C1)CCCNC(=O)C1=CC=C2C(=CC(=NC2=C1)Cl)OCC>O.CO[H].[HH].C(C)(=O)OCC.[Pd].O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].P(c2ccccc2c1c(cc(cc1C(C)C)C(C)C)C(C)C)(C3CCCCC3)C4CCCCC4.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.CS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2N.[Pd]>N1C(=NC=C1)CCCNC(=O)C1=CC=C2C(=CC(=NC2=C1)CCC)OCC | 3 |
O1C(CCC1)C(=O)O.NC=1C=C(C=NC1)Br>c1ccncc1.Cl.CN(CCCN=C=NCC)C>BrC=1C=C(C=NC1)NC(=O)C1OCCC1 | 3 |
CC1(OC[C@@H](O1)C[C@H]1O[C@H]2C[C@@H]3C([C@@H](C[C@H](CC[C@H]4C(C[C@H](CC[C@]56O[C@@H]7[C@@H]8O[C@@H]([C@@H]([C@@H]8O[C@H]8CC[C@H](CC(C[C@@H]2[C@H]1OC)O)O[C@H]78)O6)C5)O4)=C)O3)C)=C)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+]>CC1(OC[C@@H](O1)C[C@H]1O[C@H]2C[C@@H]3C([C@@H](C[C@H](CC[C@H]4C(C[C@H](CC[C@]56O[C@@H]7[C@@H]8O[C@@H]([C@@H]([C@@H]8O[C@H]8CC[C@H](CC(C[C@@H]2[C@H]1OC)=O)O[C@H]78)O6)C5)O4)=C)O3)C)=C)C | 3 |
C(O)CN.C(=O)C1=CN=C(O1)C(=O)NC=1C(=C(C=CC1)C1=CC=CC=C1)C>CO[H].ClCCl.[Na+].[BH4-].C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>OCCNCC1=CN=C(O1)C(=O)NC=1C(=C(C=CC1)C1=CC=CC=C1)C | 3 |
OCC1CC(C1)O>>CC1=CC=C(C=C1)S(=O)(=O)OCC1CC(C1)O | 5 |
NC1=C(C=CC(=C1)C(F)(F)F)O.CC1=C(C(=O)O)C=CN=C1>>OC1=C(C=C(C=C1)C(F)(F)F)NC(C1=C(C=NC=C1)C)=O | 5 |
C(C1=CC=CC=C1)Br.O[C@H](C)[C@@H]1[C@@H]2N(C(=C([C@@H]2C)C2=CN3C(S2)=C(N=C3)C(=O)C=3C=NC=CC3)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C1=O>>[Br-].C(C1=CC=CC=C1)[N+]1=CC(=CC=C1)C(=O)C=1N=CN2C1SC(=C2)C=2[C@@H]([C@H]1N(C2C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C([C@@H]1[C@@H](C)O)=O)C | 5 |
FC(CCC(C1=C(C=C(C=C1)N1N=C2CCCCC2=C1)C)NC1=CC=C(C(=O)OC)C=C1)(F)F>C1CCCO1.CO[H].[OH-].[Na+]>FC(CCC(C1=C(C=C(C=C1)N1N=C2CCCCC2=C1)C)NC1=CC=C(C(=O)O)C=C1)(F)F | 3 |
ClC1=C(C=CC=C1)O.ClCC(=O)OCC>C([O-])([O-])=O.[K+].[K+].CC(=O)C>ClC1=C(OCC(=O)OCC)C=CC=C1 | 3 |
Cl[CH2:2][C:3]([NH:5][C:6]1[CH:7]=[C:8]2[C:12](=[CH:13][CH:14]=1)[NH:11][C:10](=[O:15])[CH2:9]2)=[O:4].[I-].[K+].C(N(CC)CC)C.[CH2:25]([CH:32]1[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1>C(#N)C>[CH2:25]([CH:32]1[CH2:37][CH2:36][N:35]([CH2:2][C:3]([NH:5][C:6]2[CH:7]=[C:8]3[C:12](=[CH:13][CH:14]=2)[NH:11][C:10](=[O:15])[CH2:9]3)=[O:4])[CH2:34][CH2:33]1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1 | 1 |
Cl.C(C)OC(CN)=O.FC1=C(C=CC(=C1)F)[N+](=O)[O-]>CC#N.C(C)(C)N(C(C)C)CC>C(C)OC(CNC1=C(C=CC(=C1)F)[N+](=O)[O-])=O | 3 |
[NH:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]([OH:8])=O.[NH2:9][C:10]12[C:27](=[O:28])[C:26]3[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=3)[C:11]1([OH:29])[O:12][C:13]1[C:18]([CH2:19][CH3:20])=[CH:17][CH:16]=[CH:15][C:14]=12.C1CCC(N=C=NC2CCCCC2)CC1>C(Cl)Cl>[CH2:19]([C:18]1[C:13]2[O:12][C:11]3([OH:29])[C:21]4[C:26]([C:27](=[O:28])[C:10]3([NH:9][C:6]([C:2]3[NH:1][CH:5]=[CH:4][CH:3]=3)=[O:8])[C:14]=2[CH:15]=[CH:16][CH:17]=1)=[CH:25][CH:24]=[CH:23][CH:22]=4)[CH3:20] | 2 |
I[Si](C)(C)C.N1=C(C=CC=C1)C=1OC2=C(CN(CCC2)C(=O)OCC2=CC=CC=C2)N1>CC#N>N1=C(C=CC=C1)C=1OC2=C(CNCCC2)N1 | 3 |
NC=1C2=C(N=CN1)N(C=C2C2=CC=C(C=C2)NC(=O)C=2C(N(C=CC2)[C@@H](CO[Si](C)(C)C(C)(C)C)C2=CC=CC=C2)=O)C>>NC=1C2=C(N=CN1)N(C=C2C2=CC=C(C=C2)NC(=O)C=2C(N(C=CC2)[C@@H](CO)C2=CC=CC=C2)=O)C | 5 |
FC1=C(C=CC(=C1)N(C(C(F)(F)F)=O)CC1=CC=C2CCCN(C2=C1C)CCOS(=O)(=O)C)CCC(=O)OCC>N(C)(C)C=O.[I-].[K+].N1CCCCC1>FC1=C(C=CC(=C1)N(C(C(F)(F)F)=O)CC1=CC=C2CCCN(C2=C1C)CCN1CCCCC1)CCC(=O)OCC | 3 |
[Si:1](Cl)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:19][C:20]1[C:27]([N+:28]([O-:30])=[O:29])=[CH:26][CH:25]=[C:24]([CH3:31])[C:21]=1[CH2:22][OH:23].N1C=CN=C1>CN(C)C=O>[Si:1]([O:23][CH2:22][C:21]1[C:24]([CH3:31])=[CH:25][CH:26]=[C:27]([N+:28]([O-:30])=[O:29])[C:20]=1[CH3:19])([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][CH:2]1[NH:10][C:11]([C:13]1[CH:35]=[CH:34][C:16]([O:17][C:18]2[CH:27]=[C:26]3[C:21]([CH:22]([C:28]([O:30]C)=[O:29])[CH2:23][CH2:24][O:25]3)=[CH:20][C:19]=2[C:32]#[N:33])=[CH:15][CH:14]=1)=[O:12].[OH-].[Na+].O.CO>C1COCC1.Cl.C(OCC)(=O)C>[CH2:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH2:3][CH:2]1[NH:10][C:11]([C:13]1[CH:35]=[CH:34][C:16]([O:17][C:18]2[CH:27]=[C:26]3[C:21]([CH:22]([C:28]([OH:30])=[O:29])[CH2:23][CH2:24][O:25]3)=[CH:20][C:19]=2[C:32]#[N:33])=[CH:15][CH:14]=1)=[O:12] | 1 |
[S:1]1[CH:5]=[CH:4][C:3]([C:6]2[N:10]([CH2:11][C:12]([OH:14])=[O:13])[N:9]=[N:8][N:7]=2)=[CH:2]1.[CH2:15](O)[CH2:16][CH2:17][OH:18].C1(N=C=NC2CCCCC2)CCCCC1.C(O)(=O)C>CN(C)C=O>[OH:18][CH2:17][CH2:16][CH2:15][O:13][C:12](=[O:14])[CH2:11][N:10]1[C:6]([C:3]2[CH:4]=[CH:5][S:1][CH:2]=2)=[N:7][N:8]=[N:9]1 | 1 |
NC1=NC(=CC=C1[N+](=O)[O-])Cl.FC1=CC=C(C=C1)C1(OCCO1)CCCN1CCNCC1>C([O-])([O-])=O.[K+].[K+].C(CC)O>C1COC(CCCN2CCN(CC2)C2=CC=C(C(=N2)N)[N+](=O)[O-])(C2=CC=C(C=C2)F)O1 | 3 |
[CH3:1][O:2][CH2:3][C@H:4]1[CH2:9][N:8]([C:10]([C:12]2[CH:21]=[CH:20][C:19]3[C:14](=[CH:15][CH:16]=[C:17]([O:22][C:23]4[CH:28]=[CH:27][C:26]([C:29]([F:32])([F:31])[F:30])=[CH:25][N:24]=4)[CH:18]=3)[N:13]=2)=[O:11])[CH2:7][CH2:6][N:5]1C(OC(C)(C)C)=O.FC(F)(F)C1C=CC(OC2C=C3C(=CC=2)N=C(C(N2CCN(C(OC(C)(C)C)=O)CC2)=O)C=C3)=NC=1>>[CH3:1][O:2][CH2:3][C@@H:4]1[NH:5][CH2:6][CH2:7][N:8]([C:10]([C:12]2[CH:21]=[CH:20][C:19]3[C:14](=[CH:15][CH:16]=[C:17]([O:22][C:23]4[CH:28]=[CH:27][C:26]([C:29]([F:31])([F:30])[F:32])=[CH:25][N:24]=4)[CH:18]=3)[N:13]=2)=[O:11])[CH2:9]1 | 2 |
[NH2:1][C@@H:2]([CH2:33][C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C@@H:3]([OH:32])[CH2:4][C@@H:5]([NH:19][C:20](=[O:31])[C@H:21]([C:27]([CH3:30])([CH3:29])[CH3:28])[NH:22][C:23]([O:25][CH3:26])=[O:24])[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)=[CH:9][CH:8]=1.[CH3:40][O:41][C:42]([NH:44][C@@H:45]([C:49]([CH3:52])([CH3:51])[CH3:50])[C:46](O)=[O:47])=[O:43].CCOP(ON1N=NC2C=CC=CC=2C1=O)(OCC)=O.C(N(CC)C(C)C)(C)C>O1CCCC1>[CH2:33]([C@@H:2]([C@@H:3]([OH:32])[CH2:4][C@H:5]([CH2:6][C:7]1[CH:8]=[CH:9][C:10]([C:13]2[CH:14]=[CH:15][N:16]=[CH:17][CH:18]=2)=[CH:11][CH:12]=1)[NH:19][C:20](=[O:31])[C@H:21]([C:27]([CH3:30])([CH3:29])[CH3:28])[NH:22][C:23](=[O:24])[O:25][CH3:26])[NH:1][C:46](=[O:47])[C@@H:45]([NH:44][C:42](=[O:43])[O:41][CH3:40])[C:49]([CH3:52])([CH3:51])[CH3:50])[C:34]1[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=1 | 2 |
COC(C1=C(C=CC(=C1)C#N)OCC(=O)OC)=O>>C(C)(=O)O.NCC=1C=CC(=C(C(=O)OC)C1)OCC(=O)OC | 5 |
C(C)(C)C1=CC=C(C=O)C=C1.COC(CCCC(CC[Mg]Cl)C)(C)C>C1CCCO1.CCO[H].Cl>C(C)(C)C1=CC=C(C=C1)C(CCC(CCCC(C)(OC)C)C)O | 3 |
[Br:1][C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([OH:13])=O)[CH:10]=2)[CH:7]=1.[CH3:14][N:15]1[C:20]2[C:21]([CH3:24])=[CH:22][NH:23][C:19]=2[CH2:18][CH2:17][NH:16]1>>[Br:1][C:2]1[CH:3]=[N:4][C:5]2[N:6]([N:8]=[C:9]([C:11]([N:16]3[CH2:17][CH2:18][C:19]4[NH:23][CH:22]=[C:21]([CH3:24])[C:20]=4[N:15]3[CH3:14])=[O:13])[CH:10]=2)[CH:7]=1 | 2 |
[N:1]1([CH2:6]/[CH:7]=[CH:8]/[C:9]2[CH:18]=[CH:17][C:12]([C:13]([O:15]C)=[O:14])=[C:11]([C:19]3[CH:24]=[CH:23][C:22]([F:25])=[CH:21][C:20]=3[F:26])[CH:10]=2)[CH:5]=[CH:4][N:3]=[CH:2]1.[OH-].[Na+]>CO>[N:1]1([CH2:6]/[CH:7]=[CH:8]/[C:9]2[CH:18]=[CH:17][C:12]([C:13]([OH:15])=[O:14])=[C:11]([C:19]3[CH:24]=[CH:23][C:22]([F:25])=[CH:21][C:20]=3[F:26])[CH:10]=2)[CH:5]=[CH:4][N:3]=[CH:2]1 | 1 |
[O:1]=[C:2]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[C:4](=[O:11])[N:3]1[CH2:12][C@H:13]([NH:22][C:23]([NH:25][NH:26][C:27]([C:29]1[CH:30]=[C:31]2[C:36](=[CH:37][CH:38]=1)[CH:35]=[N:34][CH:33]=[CH:32]2)=O)=[S:24])[CH2:14][C:15]1[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=1.N[C@H](CC1C=CC(F)=CC=1)CN1C(=O)C2C=CC=CC=2C1=O>>[F:21][C:18]1[CH:17]=[CH:16][C:15]([CH2:14][C@@H:13]([NH:22][C:23]2[S:24][C:27]([C:29]3[CH:30]=[C:31]4[C:36](=[CH:37][CH:38]=3)[CH:35]=[N:34][CH:33]=[CH:32]4)=[N:26][N:25]=2)[CH2:12][N:3]2[C:4](=[O:11])[C:5]3[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=3[C:2]2=[O:1])=[CH:20][CH:19]=1 | 2 |
C(OC)(OC)OC.C(C)(=O)C=1SC=CN1>O.CO[H].C1(=CC=C(C=C1)S(=O)(=O)O)C.C([O-])([O-])=O.[Na+].[Na+]>COC(C)(OC)C=1SC=CN1 | 3 |
[Br:1][C:2]1[CH:3]=[N:4][C:5]([O:11][CH3:12])=[C:6]([CH:10]=1)[C:7](O)=[O:8].C(Cl)(=O)C(Cl)=O.[CH3:19][S:20]([NH2:23])(=[O:22])=[O:21].N1C=CC=CC=1>C(Cl)Cl.CN(C=O)C>[Br:1][C:2]1[CH:3]=[N:4][C:5]([O:11][CH3:12])=[C:6]([CH:10]=1)[C:7]([NH:23][S:20]([CH3:19])(=[O:22])=[O:21])=[O:8] | 2 |
BrC1=CC(=C(C=C1)S(=O)(=O)Cl)CC(C)C>>BrC1=CC(=C(C=C1)S(=O)(=O)N)CC(C)C | 5 |
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7]([Cl:10])=[CH:6][C:5]=1[Cl:11])=[O:3].C([N-]C(C)C)(C)C.[Li+].[C:20]([O:23][CH2:24][C:25](Cl)=[O:26])(=O)[CH3:21].C1C[O:31]CC1>>[Cl:11][C:5]1[CH:6]=[C:7]([Cl:10])[CH:8]=[CH:9][C:4]=1[C:2](=[O:3])[CH2:1][C:25](=[O:26])[C:24]([O:23][CH2:20][CH3:21])=[O:31] | 1 |
[CH3:1][NH:2][CH:3]1[CH2:7][CH2:6][CH2:5][CH2:4]1.Cl[C:9]1[N:14]=[C:13]([N:15]2[CH2:20][CH2:19][CH:18]([C:21]3[CH:26]=[CH:25][C:24]([CH2:27][CH:28]([NH:30][C:31](=[O:33])[CH3:32])[CH3:29])=[CH:23][CH:22]=3)[CH2:17][CH2:16]2)[CH:12]=[CH:11][N:10]=1>C(#N)C>[CH:3]1([N:2]([CH3:1])[C:9]2[N:14]=[C:13]([N:15]3[CH2:16][CH2:17][CH:18]([C:21]4[CH:26]=[CH:25][C:24]([CH2:27][CH:28]([NH:30][C:31](=[O:33])[CH3:32])[CH3:29])=[CH:23][CH:22]=4)[CH2:19][CH2:20]3)[CH:12]=[CH:11][N:10]=2)[CH2:7][CH2:6][CH2:5][CH2:4]1 | 1 |
NC=1C(=NC(=NC1N1C[C@@H](N(CC1)C(=O)OCC1=CC=CC=C1)CC#N)OC[C@H]1N(CCC1)C)C(=O)O.C1(CC1)C=1C=CC=C2C=CC=C(C12)N>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>C(C1=CC=CC=C1)OC(=O)N1[C@H](CN(CC1)C1=NC(=NC(=C1N)C(NC1=CC=CC2=CC=CC(=C12)C1CC1)=O)OC[C@H]1N(CCC1)C)CC#N | 3 |
BrC=1SC(=NN1)C(F)F.C12COCC(CC1)N2C2=NC=NC=1NC3=CC(=CC=C3C12)S(=O)(=O)NC1(CC1)C#N>[Cu]I.O1CCOCC1.[F-].[Cs+].CN([C@H]1[C@@H](CCCC1)N)C>C12COCC(CC1)N2C2=NC=NC=1N(C3=CC(=CC=C3C12)S(=O)(=O)NC1(CC1)C#N)C=1SC(=NN1)C(F)F | 3 |
[SH2:1].O=[C:3]1[CH2:8][CH2:7][CH2:6][CH2:5][CH:4]1[C:9]([O:11][CH2:12][CH3:13])=[O:10]>C(O)C>[SH:1][C:3]1[CH2:8][CH2:7][CH2:6][CH2:5][C:4]=1[C:9]([O:11][CH2:12][CH3:13])=[O:10] | 2 |
C(OCC[Si](C)(C)C)Cl.BrC=1N=C2C=CC(NC2=CC1)=O>O.C1CCCO1.[H-].[Na+]>BrC=1N=C2C=CC(N(C2=CC1)COCC[Si](C)(C)C)=O | 3 |
COC=1C=C(C=O)C=CC1SC>CC(C)(C)[S@](=O)N.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>COC=1C=C(C=N[S@@](=O)C(C)(C)C)C=CC1SC | 3 |
FC=1C=C(CC2=CC(=NO2)C(=O)O)C=CC1.O1C=C(C2=C1C=CC=C2)CCN>>O1C=C(C2=C1C=CC=C2)CCNC(=O)C2=NOC(=C2)CC2=CC(=CC=C2)F | 5 |
FC=1C=NC(=NC1)C1=CC=C(C=C1)N1CCN(CC1)C(CN1CC(CC1)C1=NC=2C=C3C(=CC2C=N1)N(N=C3C3=CC=NC=C3)C(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)=O>>FC=1C=NC(=NC1)C1=CC=C(C=C1)N1CCN(CC1)C(CN1CC(CC1)C1=NC=2C=C3C(=CC2C=N1)NN=C3C3=CC=NC=C3)=O | 5 |
NC1C(CN(CC1)C(=O)OC(C)(C)C)(C)C.BrC=1C=C2N(N=CC(=C2Cl)C(=O)N)C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>BrC=1C=C2N(N=CC(=C2NC2C(CN(CC2)C(=O)OC(C)(C)C)(C)C)C(N)=O)C1 | 3 |
C1(=CC=CC=C1)C1CCC(CC1)=O>>C1(=CC=CC=C1)[C@@H]1CC[C@H](CC1)O | 5 |
[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[NH:6][C:7]3[C:12]([C:13]=2[CH:14]=1)=[CH:11][CH:10]=[CH:9][CH:8]=3.I[C:16]1[CH:21]=[CH:20][C:19]([C:22]2[CH:27]=[CH:26][C:25](I)=[CH:24][CH:23]=2)=[CH:18][CH:17]=1.C(=O)([O-])[O-].[K+].[K+].C1O[CH2:51][CH2:50]OCCOCCOCCOCCOC1>ClC1C=CC=CC=1Cl.[Cu]>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:16]3[CH:21]=[CH:20][C:19]([C:22]4[CH:27]=[CH:26][C:25]([N:6]5[C:7]6[CH:8]=[CH:9][C:50]([CH3:51])=[CH:11][C:12]=6[C:13]6[C:5]5=[CH:4][CH:3]=[CH:2][CH:14]=6)=[CH:24][CH:23]=4)=[CH:18][CH:17]=3)[C:7]3[C:12]([C:13]=2[CH:14]=1)=[CH:11][CH:10]=[CH:9][CH:8]=3 | 2 |
C(C)N(CCCN1N=C(C2=CC(=CC=C12)O)N)CC>C(C)OCC.CCO[H].Cl>Cl.Cl.C(C)N(CCCN1N=C(C2=CC(=CC=C12)O)N)CC | 3 |
C(C)(C)(C)OC(=O)N1[C@@H](CC1)COC=1C=C(C=NC1)[C@H]1[C@@H](C1)CCO>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>C1(=CC=C(C=C1)S(=O)(=O)OCC[C@H]1[C@@H](C1)C=1C=NC=C(C1)OC[C@H]1N(CC1)C(=O)OC(C)(C)C)C | 3 |
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