smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NCC1(CCC(CC1)(F)F)O.ClC1=C2C(=CN(C2=CC=C1)CC(F)(F)F)C(=O)O>CC#N.O.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC1=C2C(=CN(C2=CC=C1)CC(F)(F)F)C(=O)NCC1(CCC(CC1)(F)F)O | 3 |
COC1CN(C2=C(OC1)N=C1C(=C2)C=CN1COCC[Si](C)(C)C)S(=O)(=O)C1=CC=C(C)C=C1>C1CCCO1.[Na].COCCOC.[Cl-].[NH4+].C1=CC=CC2=CC=CC=C12>COC1CNC2=C(OC1)N=C1C(=C2)C=CN1COCC[Si](C)(C)C | 3 |
C(C1=CC=CC=C1)O[C@H]1[C@]2(O[C@@H]([C@H]([C@@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)COCC1=CC=CC=C1)C(OC1=C2C=C(C(=C1)Cl)CC1=CC=C(C=C1)CC)=O>C1CCCO1.CO[H].O.O.[Pd].[HH].ClC1=C(C=CC=C1)Cl>ClC1=CC2=C(C=C1CC1=CC=C(C=C1)CC)[C@@]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C(O2)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.ClC1=CC=C(C[C@H](N)C(=O)O)C=C1>O.[OH-].[Na+].CC(=O)C>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)Cl | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)B1OC(C(O1)(C)C)(C)C)C)(F)F.C.FC1=C(C=CC(=C1)C(=O)OC)C1=C(C=C(C(=C1)I)OC)F>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]>FC(C=1C=C(C=C(C1)C(F)(F)F)[C@@H]1[C@@H](N(C(O1)=O)CC1=C(C=CC(=C1)C(F)(F)F)C=1C=C(C(=CC1OC)F)C1=C(C=C(C=C1)C(=O)OC)F)C)(F)F | 3 |
CC=1C=CC(=C(C(=O)OC)C1)C1=CC=NC=C1>>Cl.CC=1C=CC(=C(C(=O)O)C1)C1=CC=NC=C1 | 5 |
ClC1=C(C=CC=C1)[C@@H](C)OC1=C(SC(=C1)N1C=NC2=C1C=C(C=C2)OC2CCNCC2)C(=O)OC>>ClC1=C(C=CC=C1)[C@@H](C)OC1=C(SC(=C1)N1C=NC2=C1C=C(C=C2)OC2CCNCC2)C(=O)N | 5 |
Cl[C:2]1[C:11]([O:12][CH:13]([C:18]2[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=2)[C:14]([F:17])([F:16])[F:15])=[N:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.CS(C)=O.[C:28]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[S:36]([NH2:39])(=[O:38])=[O:37])#[N:29].C(=O)([O-])[O-].[K+].[K+]>C(O)(=O)C>[C:28]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[S:36]([NH:39][C:2]1[C:11]([O:12][CH:13]([C:18]2[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=2)[C:14]([F:17])([F:16])[F:15])=[N:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1)(=[O:38])=[O:37])#[N:29] | 1 |
[Br:1][C:2]1[C:3]([Cl:20])=[C:4]([NH:12][C:13](=[O:19])[O:14][C:15]([CH3:18])([CH3:17])[CH3:16])[CH:5]=[C:6]([O:8][CH:9]([F:11])[F:10])[CH:7]=1.C[Si]([N-][Si](C)(C)C)(C)C.[Na+].[CH3:31][O:32][C:33]1[CH:40]=[CH:39][C:36]([CH2:37]Cl)=[CH:35][CH:34]=1.CCOC(C)=O>CN(C=O)C>[Br:1][C:2]1[C:3]([Cl:20])=[C:4]([N:12]([CH2:37][C:36]2[CH:39]=[CH:40][C:33]([O:32][CH3:31])=[CH:34][CH:35]=2)[C:13](=[O:19])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH:5]=[C:6]([O:8][CH:9]([F:11])[F:10])[CH:7]=1 | 1 |
COC=O.CN1C(=CC2=CC=CC=C12)CCC(=O)OC>CC(C)(C)[O-].[K+].C1CCCO1>OC=C(C(=O)OC)CC=1N(C2=CC=CC=C2C1)C | 3 |
[C:1](OC(=O)C)(=[O:3])[CH3:2].Cl.[NH2:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]2[N:20]([CH:21]([CH:31]3[CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]3)[C:22]([NH:24][CH:25]3[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]3)=[O:23])[C:19]3[CH:37]=[CH:38][CH:39]=[CH:40][C:18]=3[N:17]=2)=[CH:12][CH:11]=1.N1C=CC=CC=1.Cl>ClCCl>[C:1]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([C:16]2[N:20]([CH:21]([CH:31]3[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[C:22]([NH:24][CH:25]3[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]3)=[O:23])[C:19]3[CH:37]=[CH:38][CH:39]=[CH:40][C:18]=3[N:17]=2)=[CH:12][CH:11]=1)(=[O:3])[CH3:2] | 1 |
COC[C@@H](OC=1C=C(C=C(C1)OC=1C=NC(=CC1)S(=O)(=O)C)C1=CC=C(N1)C=1OC[C@H](N1)[C@@H](C)O)C>>O[C@H](C)[C@H]1N=C(OC1)C1=CC=C(N1)C=1C=C(O[C@H](CO)C)C=C(C1)OC=1C=NC(=CC1)S(=O)(=O)C | 5 |
[N:1]([O-])=O.[Na+].[Br:5][C:6]1[CH:7]=[C:8]([CH:10]=[CH:11][C:12]=1[O:13][C:14]([F:17])([F:16])[F:15])[NH2:9].O.O.[Sn](Cl)Cl.[OH-].[Na+].CO[CH:27](OC)[CH2:28][CH:29](OC)OC>O.Cl.C(O)C>[Br:5][C:6]1[CH:7]=[C:8]([N:9]2[CH:29]=[CH:28][CH:27]=[N:1]2)[CH:10]=[CH:11][C:12]=1[O:13][C:14]([F:15])([F:16])[F:17] | 1 |
[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10](=[O:12])C)=[CH:9][C:4]=2[CH2:3][CH2:2]1.Cl[O-].[Na+].S(=O)(O)[O-:17].[Na+].Cl>>[O:1]1[C:5]2[CH:6]=[CH:7][C:8]([C:10]([OH:12])=[O:17])=[CH:9][C:4]=2[CH2:3][CH2:2]1 | 1 |
C(C)OC(CCNC)=O.CN1N=CC(=C1)C1=CC(=C(O1)C)C(CC(C)C)NC1=CC=C(C(=O)O)C=C1>N(C)(C)C=O.CCN(CC)CC.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>CC(CC(C1=C(OC(=C1)C=1C=NN(C1)C)C)NC1=CC=C(C=C1)C(=O)N(CCC(=O)O)C)C | 3 |
[F:1][C:2]([F:11])([F:10])[CH2:3][CH2:4][CH:5]([C:8]#[N:9])[C:6]#[N:7].[CH:12]([C:14]([CH2:16][CH3:17])=[O:15])=[CH2:13].C(=O)([O-])[O-].[K+].[K+].Cl>CC(C)=O>[F:1][C:2]([F:10])([F:11])[CH2:3][CH2:4][C:5]([CH2:13][CH2:12][C:14](=[O:15])[CH2:16][CH3:17])([C:8]#[N:9])[C:6]#[N:7] | 1 |
C1(CC1)CCNC1=NC(=C2N=C(N(C2=N1)C1OCCCC1)OC)N>CO[H].C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.C1(CC1)CCNC1=NC(=C2N=C(NC2=N1)OC)N | 3 |
FC(C1=CC=C(CBr)C=C1)(F)F.C(=O)(OC(C)(C)C)N1CCNCC1>C1CCCO1.C(=O)(C(F)(F)F)O.CCN(CC)CC>FC(C1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1)(F)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([N:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[C:14](=[O:21])[CH2:13][CH2:12]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1.[C:22](OCC)(=[O:28])[C:23]([O:25][CH2:26][CH3:27])=[O:24].[O-]CC.[Na+]>C(O)C.C1COCC1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:8]([N:11]2[C:20]3[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=3)[C:14](=[O:21])[CH:13]([C:22](=[O:28])[C:23]([O:25][CH2:26][CH3:27])=[O:24])[CH2:12]2)(=[O:9])=[O:10])=[CH:6][CH:7]=1 | 2 |
ClC1=C(C=CC=C1)B(O)O.BrC1=CC=C2C(=NN(C2=C1)COCC[Si](C)(C)C)NC(CCC)=O>>ClC1=C(C=CC=C1)C1=CC=C2C(=NN(C2=C1)COCC[Si](C)(C)C)NC(CCC)=O | 5 |
C(C)N.CS(=O)(=O)OC[C@@H](COCC1=CC=CC=C1)NC(=O)OC(C)(C)C>C1CCCO1>C(C1=CC=CC=C1)OC[C@@H](CNCC)NC(OC(C)(C)C)=O | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:19][CH3:20])=[C:6]([C:8]2[N:9]=[C:10]([CH3:18])[S:11][C:12]=2[C:13]([O:15]CC)=[O:14])[CH:7]=1.[OH-].[K+].Cl>C1COCC1.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:19][CH3:20])=[C:6]([C:8]2[N:9]=[C:10]([CH3:18])[S:11][C:12]=2[C:13]([OH:15])=[O:14])[CH:7]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCC1=CC=CC=C1>[H-].[Na+]>C(C1=CC=CC=C1)OCCOCCOCCOC1CCN(CC1)C(=O)OC(C)(C)C | 3 |
Cl.ClC1=CC=C(CSC2=C(C=CC(=N2)C(=O)Cl)C#N)C=C1>>ClC1=CC=C(CSC2=C(C=CC(=N2)C(=O)N)C#N)C=C1 | 5 |
[CH3:1][O:2][CH2:3][C:4]#[C:5][C:6]1[CH:7]=[C:8]2[C:27](=[CH:28][CH:29]=1)[O:26][CH2:25][C:21]1([CH2:24][O:23][CH2:22]1)[C:9]12[CH2:13][O:12][C:11]([N:14]([C:18]([O-:20])=[O:19])[C:15]([O-:17])=[O:16])=[N:10]1>[Pd].CCO>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][C:6]1[CH:7]=[C:8]2[C:27](=[CH:28][CH:29]=1)[O:26][CH2:25][C:21]1([CH2:24][O:23][CH2:22]1)[C:9]12[CH2:13][O:12][C:11]([N:14]([C:18]([O:20][C:9]([CH3:21])([CH3:13])[CH3:8])=[O:19])[C:15]([O:17][C:6]([CH3:7])([CH3:29])[CH3:5])=[O:16])=[N:10]1 | 1 |
C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)OC\C=C(\CCC1OC1(C)C)/C>C1CCCO1.I(=O)(=O)(=O)O>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC/C=C(/CCC=O)\C | 3 |
C(C1=CC=CC=C1)OC(=O)N1[C@H](C2=CC=CC(=C2C[C@@H]1CO[Si](C)(C)C(C)(C)C)C=1C=NN(C1)C1COC1)C>CCO[H].[HH].[Pd]>[Si](C)(C)(C(C)(C)C)OC[C@@H]1N[C@H](C2=CC=CC(=C2C1)C=1C=NN(C1)C1COC1)C | 3 |
COC(C1=C(C=C(C(=C1)S(=O)(=O)C)F)Cl)=O.CN(CCC1=CC=C(C=C1)O)C>CN1C(CCC1)=O.C(O)([O-])=O.[Na+].C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C(=O)OC)C=C(C(=C1)OC1=CC=C(C=C1)CCN(C)C)S(=O)(=O)C | 3 |
[CH2:1]([C:5]1[CH:6]=[CH:7][C:8]2[N:13]=[CH:12]O[C:10](=[O:14])[C:9]=2[CH:15]=1)[CH2:2][CH2:3][CH3:4].[NH2:16][CH2:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[C:30]2[N:34]([CH2:35][O:36][CH3:37])[N:33]=[N:32][N:31]=2)=[CH:20][CH:19]=1.O>C1(C)C(C)=CC=CC=1>[CH2:1]([C:5]1[CH:15]=[C:9]2[C:8](=[CH:7][CH:6]=1)[N:13]=[CH:12][N:16]([CH2:17][C:18]1[CH:19]=[CH:20][C:21]([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=3[C:30]3[N:34]([CH2:35][O:36][CH3:37])[N:33]=[N:32][N:31]=3)=[CH:22][CH:23]=1)[C:10]2=[O:14])[CH2:2][CH2:3][CH3:4] | 1 |
C1(CC1)N.C(C)(C)(C)OC(N(CC)CCC1=CC(=C(C=C1)Cl)C=O)=O>CO[H].[Na+].[BH4-].CCN(CC)CC>C(C)(C)(C)OC(N(CC)CCC1=CC(=C(C=C1)Cl)CNC1CC1)=O | 3 |
C(C)(C)(C)O.N1(CCC=CC1)C(=O)OCC1=CC=CC=C1>O.O.CC[C@@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](C4=C3C=C(C=CC3=NC=C4)OC)OC5=NN=C(C6=CC=CC=C56)O[C@@H]([C@H]7C[C@@H]8CCN7C[C@@H]8CC)C%10=C9C=C(C=CC9=NC=C%10)OC.[K+].[K+].[O-][Os](O)(O)(O)(O)[O-].[K+].[K+].N#C[Fe-3](C#N)(C#N)(C#N)(C#N)C#N.[K+].C(=O)([O-])[O-].[K+].[K+].CC(C)(C)O>C(C1=CC=CC=C1)OC(=O)N1CC(C(CC1)O)O | 3 |
C(C)N1CCCCC1.[O-]S(=O)(=O)C(F)(F)F.[Sn+2].[O-]S(=O)(=O)C(F)(F)F.C(C)(=O)O[C@@H]1[C@@H](C(N1)=O)[C@@H](C)O[Si](C)(C)C(C)(C)C.C(CC)(=O)C1=C(N2C(S1)=C(N=C2)C=2C=NC=CC2)C(OC)OC>ClCCl>[Si](C)(C)(C(C)(C)C)O[C@H](C)[C@H]1C(N[C@@H]1[C@H](C(=O)C1=C(N2C(S1)=C(N=C2)C(OC)OC)C=2C=NC=CC2)C)=O | 3 |
Cl.COC(C1=CC(=CC=C1)CN)=O.ClC1=CC=C2C(=C(NC2=C1C=1C(=NN(C1C)C)C)C(=O)O)CCCOC1=CC(=C(C(=C1)C)Cl)C>C1CCCO1.C1(=CC=NC=C1)N(C)C.CCN=C=NCCCN(C)C>ClC1=CC=C2C(=C(NC2=C1C=1C(=NN(C1C)C)C)C(=O)NCC=1C=C(C(=O)OC)C=CC1)CCCOC1=CC(=C(C(=C1)C)Cl)C | 3 |
COP(OC)(=O)C(C(C)=O)=[N+]=[N-].C(C)(C)(C)OC(N[C@H]1CO[C@@H](CC1)C=O)=O>CO[H].C([O-])([O-])=O.[K+].[K+]>C(#C)[C@@H]1CC[C@H](CO1)NC(OC(C)(C)C)=O | 3 |
ClC1=C(C=C(C=C1)NC(=O)NC1=CC=C(C=C1)OC1=NC(=NC=C1)S(=O)(=O)C)C(F)(F)F>C1CCCO1.C(O)CN>ClC1=C(C=C(C=C1)NC(=O)NC1=CC=C(C=C1)OC1=NC(=NC=C1)NCCO)C(F)(F)F | 3 |
[C:1]([N:4]1[CH2:9][CH2:8][C:7]2[O:10][C:11]([C:13]3[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=3)=[N:12][C:6]=2[CH2:5]1)(=[O:3])[CH3:2].[K].CC1C=CC(S(O[C@H:32]2[CH2:35][C@@H:34]([N:36]3[CH2:41][CH2:40][CH2:39][CH2:38][CH2:37]3)[CH2:33]2)(=O)=O)=CC=1>CN(C)C=O>[C:1]([N:4]1[CH2:9][CH2:8][C:7]2[O:10][C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][C@H:32]4[CH2:35][C@H:34]([N:36]5[CH2:41][CH2:40][CH2:39][CH2:38][CH2:37]5)[CH2:33]4)=[CH:15][CH:14]=3)=[N:12][C:6]=2[CH2:5]1)(=[O:3])[CH3:2] | 2 |
C(OC([C:11]1[C:19]2[C:14](=[CH:15][CH:16]=[C:17](CCOS(C)(=O)=O)[CH:18]=2)[NH:13][C:12]=1C)=O)C1C=CC=CC=1.C([O-])([O-])=O.[K+].[K+].C[N:35](C=O)C>>[NH:13]1[C:14]2[C:19](=[CH:18][CH:17]=[CH:16][CH:15]=2)[CH:11]=[C:12]1[NH2:35] | 1 |
C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)NC=1C(=C2CCNCC2=CC1)F)C(F)(F)F>CCO[H].C=O.C(=O)O>C(#N)C=1C=C(C=CC1)N1N=C(C=C1C(=O)NC=1C(=C2CCN(CC2=CC1)C)F)C(F)(F)F | 3 |
BrC1C([C@@H](NC(=O)OC(C)(C)C)CC2C=C(F)C=C(F)C=2)=NC=C(C#CC(O)(C)C)C=1.[CH3:32][C:33]([OH:37])([C:35]#[CH:36])[CH3:34].[Br:38][C:39]1[C:40]([C@@H:46]([NH:56][C:57](=[O:75])[CH2:58][N:59]2[C:67]3[C:66]([F:69])([F:68])[CH2:65][CH2:64][C:63]([F:71])([F:70])[C:62]=3[C:61]([CH:72]([F:74])[F:73])=[N:60]2)[CH2:47][C:48]2[CH:53]=[C:52]([F:54])[CH:51]=[C:50]([F:55])[CH:49]=2)=[N:41][C:42](Br)=[CH:43][CH:44]=1>>[Br:38][C:39]1[C:40]([C@@H:46]([NH:56][C:57](=[O:75])[CH2:58][N:59]2[C:67]3[C:66]([F:68])([F:69])[CH2:65][CH2:64][C:63]([F:70])([F:71])[C:62]=3[C:61]([CH:72]([F:74])[F:73])=[N:60]2)[CH2:47][C:48]2[CH:49]=[C:50]([F:55])[CH:51]=[C:52]([F:54])[CH:53]=2)=[N:41][C:42]([C:36]#[C:35][C:33]([OH:37])([CH3:34])[CH3:32])=[CH:43][CH:44]=1 | 2 |
[CH2:1]([C:3]1[C:8](B2OC(C)(C)C(C)(C)O2)=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:18][CH:19]1[CH2:24][CH2:23][N:22]([CH2:25][CH2:26][C:27]([O:29][CH2:30][CH3:31])=[O:28])[CH2:21][CH2:20]1)[CH3:2].Br[C:33]1[N:37]=[C:36]([C:38]2[CH:43]=[CH:42][C:41]([O:44][CH:45]([CH3:47])[CH3:46])=[C:40]([Cl:48])[CH:39]=2)[S:35][N:34]=1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>CN(C)C=O.O.C(OCC)(=O)C.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>[Cl:48][C:40]1[CH:39]=[C:38]([C:36]2[S:35][N:34]=[C:33]([C:8]3[C:3]([CH2:1][CH3:2])=[C:4]([CH2:18][CH:19]4[CH2:24][CH2:23][N:22]([CH2:25][CH2:26][C:27]([O:29][CH2:30][CH3:31])=[O:28])[CH2:21][CH2:20]4)[CH:5]=[CH:6][CH:7]=3)[N:37]=2)[CH:43]=[CH:42][C:41]=1[O:44][CH:45]([CH3:46])[CH3:47] | 1 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[S:9]([C:12]1[CH:19]=[CH:18][CH:17]=[CH:16][C:13]=1[CH:14]=O)(=[O:11])=[O:10].[CH3:20][O:21][C:22](=[O:35])[CH2:23][N:24]1[C:32]2[C:27](=[CH:28][C:29]([F:33])=[CH:30][CH:31]=2)[CH:26]=[C:25]1[CH3:34]>>[CH3:20][O:21][C:22](=[O:35])[CH2:23][N:24]1[C:32]2[C:27](=[CH:28][C:29]([F:33])=[CH:30][CH:31]=2)[C:26]([CH2:14][C:13]2[CH:16]=[CH:17][CH:18]=[CH:19][C:12]=2[S:9]([C:3]2[CH:4]=[CH:5][C:6]([Cl:8])=[CH:7][C:2]=2[Cl:1])(=[O:11])=[O:10])=[C:25]1[CH3:34] | 1 |
NC1=CC=CC2=CC=CC=C12.ClC1=C(C=C(C(=O)Cl)C=C1)[N+](=O)[O-]>C1CCCO1.CCN(CC)CC>ClC1=C(C=C(C(=O)NC2=CC=CC3=CC=CC=C23)C=C1)[N+](=O)[O-] | 3 |
CC(C(=O)O)(C)C.N1=CC(=CC=C1)CO>O.S(O)(O)(=O)=O.N.[N+](=O)([O-])[O-].[Ag+].S(=O)(=O)([O-])OOS(=O)(=O)[O-].[NH4+].[NH4+]>C(C)(C)(C)C1=NC=C(C=O)C=C1 | 3 |
C(C)C1=C(C(=CC(=C1)C)CC)C(C(=O)O)=O>>C(C)C1=C(C(=CC(=C1)C)CC)C(C(=O)Cl)=O | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([CH3:10])[C:5]([CH3:9])=[C:6]([CH:8]=1)N.N([O-])=[O:12].[Na+]>S(=O)(=O)(O)O.C1(C)C=CC=CC=1>[Br:1][C:2]1[CH:3]=[C:4]([CH3:10])[C:5]([CH3:9])=[C:6]([OH:12])[CH:8]=1 | 1 |
[CH3:1][N:2]1[C:10](=[O:11])[C:9]2[N:8]([CH2:12][C:13]3[CH:22]=[CH:21][C:16]([C:17](OC)=[O:18])=[CH:15][CH:14]=3)[C:7]([CH2:23][O:24][CH2:25][CH2:26][CH3:27])=[N:6][C:5]=2[N:4]([CH3:28])[C:3]1=[O:29].[BH4-].[Li+].[Cl-].[NH4+]>C1COCC1>[OH:18][CH2:17][C:16]1[CH:21]=[CH:22][C:13]([CH2:12][N:8]2[C:9]3[C:10](=[O:11])[N:2]([CH3:1])[C:3](=[O:29])[N:4]([CH3:28])[C:5]=3[N:6]=[C:7]2[CH2:23][O:24][CH2:25][CH2:26][CH3:27])=[CH:14][CH:15]=1 | 2 |
COC(\C=C\C1=CC=C(C=C1)C=O)=O.N1C=C(C2=CC=CC=C12)C[C@@H](C)NCC(C)(C)F>C1(=CC=CC=C1)C>FC(CN1[C@@H](C=2NC3=CC=CC=C3C2C[C@H]1C)C1=CC=C(C=C1)/C=C/C(=O)OC)(C)C | 3 |
COC=1C=NC=C(C1)B1OC(C(O1)(C)C)(C)C.ClC1=NC2=CC(=CC(=C2C(=C1C)Cl)F)F>>ClC1=C(C(=NC2=CC(=CC(=C12)F)F)C=1C=NC=C(C1)OC)C | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[S:8][CH:9]=[C:10]([C:12]([O:14]C(C)(C)C)=[O:13])[N:11]=1.C(O)(C(F)(F)F)=O>C(Cl)Cl>[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[S:8][CH:9]=[C:10]([C:12]([OH:14])=[O:13])[N:11]=1 | 1 |
C(C)(=O)OC(C)=O.N1CC(OCC1)CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]>>C(C)(=O)N1CC(OCC1)CNC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-] | 5 |
CCCCCCCCCCCCCCCC(=O)Cl.C(=O)NCC(=O)OCC>ClCCl.CN1C=NC=C1.[Ti](Cl)(Cl)(Cl)Cl.C(CCC)N(CCCC)CCCC>C(=O)NC(C(=O)OCC)C(CCCCCCCCCCCCCCC)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:9]2[CH:10]=[N:11][C:12]([N:16]3[CH2:21][CH2:20][O:19][CH2:18][CH2:17]3)=[CH:13][C:14]=2[NH2:15])[CH:6]=[N:7][CH:8]=1.Cl[C:23]1[C:32]2[C:27](=[CH:28][CH:29]=[CH:30][C:31]=2[F:33])[N:26]=[C:25]([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=2)[C:24]=1[CH3:40].C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.CC(C)([O-])C.[Na+]>C1(C)C=CC=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)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd].O>[F:33][C:31]1[CH:30]=[CH:29][CH:28]=[C:27]2[C:32]=1[C:23]([NH:15][C:14]1[CH:13]=[C:12]([N:16]3[CH2:21][CH2:20][O:19][CH2:18][CH2:17]3)[N:11]=[CH:10][C:9]=1[C:5]1[CH:6]=[N:7][CH:8]=[C:3]([O:2][CH3:1])[CH:4]=1)=[C:24]([CH3:40])[C:25]([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][N:35]=1)=[N:26]2 | 2 |
[C:1]([CH:5]1[CH2:10][CH2:9][CH:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[CH:18]=[C:17]([C@:22]2([CH3:29])[CH2:26][O:25][C:24](=O)[N:23]2C)[CH:16]=[CH:15]3)[CH2:7][CH2:6]1)([CH3:4])([CH3:3])[CH3:2].[Li+].[OH-]>C(O)C>[C:1]([CH:5]1[CH2:10][CH2:9][CH:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[CH:18]=[C:17]([C@:22]([NH:23][CH3:24])([CH3:29])[CH2:26][OH:25])[CH:16]=[CH:15]3)[CH2:7][CH2:6]1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[C:1]1([C:7]2[NH:11][C:10]([C:12]3[CH:13]=[C:14]4[C:19](=[CH:20][CH:21]=3)[CH:18]=[C:17]([OH:22])[CH:16]=[CH:15]4)=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Br[CH2:24][C:25]1[CH:34]=[CH:33][C:28]([C:29]([O:31][CH3:32])=[O:30])=[CH:27][C:26]=1[C:35]([O:37][CH3:38])=[O:36].C(=O)([O-])[O-].[Cs+].[Cs+]>CC(C)=O>[C:1]1([C:7]2[NH:11][C:10]([C:12]3[CH:13]=[C:14]4[C:19](=[CH:20][CH:21]=3)[CH:18]=[C:17]([O:22][CH2:24][C:25]3[CH:34]=[CH:33][C:28]([C:29]([O:31][CH3:32])=[O:30])=[CH:27][C:26]=3[C:35]([O:37][CH3:38])=[O:36])[CH:16]=[CH:15]4)=[CH:9][CH:8]=2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC(=CC=C1)CN1C(C=2N(C=3N=CSC3C2C=N1)C)=O>O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(Br)(Br)(Br)Br>C(C)(C)(C)OC(=O)N(C(OC(C)(C)C)=O)C1=NC(=CC=C1)CN1C(C=2N(C=3N=C(SC3C2C=N1)Br)C)=O | 3 |
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([CH2:12][CH3:13])[N:6]([CH3:14])[C:5]2=[O:15].[CH3:16][S:17]([O-:19])=[O:18].[Na+]>[Cu]I>[CH2:12]([C:7]1[N:6]([CH3:14])[C:5](=[O:15])[C:4]2[C:9](=[CH:10][CH:11]=[C:2]([S:17]([CH3:16])(=[O:19])=[O:18])[CH:3]=2)[N:8]=1)[CH3:13] | 1 |
[C:1]1([S:7]([CH2:10][CH2:11][CH2:12][O:13][C:14]2[CH:21]=[CH:20][C:17]([CH2:18]O)=[CH:16][CH:15]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.S(Cl)([Cl:24])=O>C(Cl)(Cl)Cl>[C:1]1([S:7]([CH2:10][CH2:11][CH2:12][O:13][C:14]2[CH:21]=[CH:20][C:17]([CH2:18][Cl:24])=[CH:16][CH:15]=2)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
[OH:1][C:2]1[C:3]([CH3:11])=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([OH:7])=[O:6].OS(O)(=O)=O.[CH3:17]O>>[CH3:17][O:6][C:5](=[O:7])[C:4]1[CH:8]=[CH:9][CH:10]=[C:2]([OH:1])[C:3]=1[CH3:11] | 2 |
[C:1]1([CH2:11][C:12]([OH:14])=O)[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.C(Cl)(=O)C(Cl)=O.CN(C)C=O.[NH2:26][C:27]1[CH:28]=[C:29]([N:33]2[C:38](=[O:39])[C:37]([CH2:40][C:41]3[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=3)=[N:36][C:35]3[CH:47]=[CH:48][CH:49]=[N:50][C:34]2=3)[CH:30]=[CH:31][CH:32]=1>ClCCl.O.C(OCC)(=O)C.C(N(CC)CC)C>[CH2:40]([C:37]1[C:38](=[O:39])[N:33]([C:29]2[CH:30]=[CH:31][CH:32]=[C:27]([NH:26][C:12](=[O:14])[CH2:11][C:1]3[C:10]4[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=4)[CH:4]=[CH:3][CH:2]=3)[CH:28]=2)[C:34]2[N:50]=[CH:49][CH:48]=[CH:47][C:35]=2[N:36]=1)[C:41]1[CH:42]=[CH:43][CH:44]=[CH:45][CH:46]=1 | 1 |
C[Mg]Cl.C(C)(C)(C)OC(=O)N1CCC(CC1)=O>C1CCCO1>OC1(CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
NCC=1C=C(C=CC1C=1OC=CC1)O.IC=1C=C2C(C(NC(C2=CC1)=O)=O)=COC.OC1=C(C=CC(=C1)CNC=C1C(NC(C2=CC=C(C=C12)I)=O)=O)C1=CC=CC=C1>>O1C(=CC=C1)C1=C(CNC=C2C(NC(C3=CC=C(C=C23)I)=O)=O)C=C(C=C1)O | 3 |
C(C1=CC=CC=C1)OC([C@@H](NC([C@@H](NC(CCCCNC(C1=CC=C(C=C1)C(NC(=O)OCC1=CC=CC=C1)=N)=O)=O)CC(=O)OCC1=CC=CC=C1)=O)CC1=CC=CC=C1)=O>[HH].[Pd].C(C)(=O)O>C(N)(=N)C1=CC=C(C(=O)NCCCCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)C=C1 | 3 |
COC(C)(C)OC.C(C1=CC=CC=C1)OC[C@H](C[C@H](CC(=O)OC(C)(C)CC)O)O>O.Cl.CC(=O)C.C(O)([O-])=O.[Na+].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C(C1=CC=CC=C1)O[C@H]1C[C@H](OC(O1)(C)C)CCCCCC(=O)OC(C)(C)CC | 3 |
[CH2:1]([C:3]1[N:4]([CH3:21])[C:5]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)=[C:6]([C:12](=[O:14])[CH:13]=1)[C:7]([O:9]CC)=[O:8])[CH3:2].Cl>[OH-].[Na+]>[CH2:1]([C:3]1[N:4]([CH3:21])[C:5]([C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=2)=[C:6]([C:12](=[O:14])[CH:13]=1)[C:7]([OH:9])=[O:8])[CH3:2] | 1 |
C(C)(C)(C)OC(=O)N1CC(C1)N1CC(CC1)(F)F>>N1CC(C1)N1CC(CC1)(F)F | 5 |
C(C)(C)C=1C2=C(N(C1)C(=O)OC(C)(C)C)C=C(S2)C(=O)OCC>ClCCl.C(=O)(C(F)(F)F)O>C(C)(C)C=1C2=C(NC1)C=C(S2)C(=O)OCC | 3 |
C(=O)(O)[C@H](O)[C@@H](O)C(=O)O.N1C[C@H](C(=O)OCC)CCC1>>N1C[C@H](C(=O)OCC)CCC1 | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[CH:16]=[C:15]([N:17]3[CH2:21][CH2:20][CH2:19][CH2:18]3)[N:14]=[C:13](/[CH:22]=[CH:23]/[C:24]3[N:33]=[C:32]([N:34]4[CH2:39][CH2:38][N:37]([CH3:40])[CH2:36][CH2:35]4)[C:31]4[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=4)[N:25]=3)[N:12]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].O1CCCC1>CO.[Pt]=O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:11]2[CH:16]=[C:15]([N:17]3[CH2:18][CH2:19][CH2:20][CH2:21]3)[N:14]=[C:13]([CH2:22][CH2:23][C:24]3[N:33]=[C:32]([N:34]4[CH2:39][CH2:38][N:37]([CH3:40])[CH2:36][CH2:35]4)[C:31]4[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=4)[N:25]=3)[N:12]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10] | 2 |
[NH3:1].CO.C([O:6][C:7](=O)[C:8]([C:11]1[CH:16]=[CH:15][CH:14]=[C:13]([Cl:17])[CH:12]=1)([F:10])[F:9])C>>[Cl:17][C:13]1[CH:12]=[C:11]([C:8]([F:10])([F:9])[C:7]([NH2:1])=[O:6])[CH:16]=[CH:15][CH:14]=1 | 1 |
O1C(C2C=C(N[C:13]3[N:18]=[C:17]([C:19]4[C:20]([C:28]5[CH:29]=[C:30]([NH:34][C:35](=[O:42])[CH2:36][C:37]6[S:38][CH:39]=[CH:40][CH:41]=6)[CH:31]=[CH:32][CH:33]=5)=[N:21][N:22]5[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=45)[CH:16]=[CH:15][N:14]=3)C=CC=2)=CN=C1.[NH2:43][C:44]1[CH:45]=[C:46]2[C:50](=[CH:51][CH:52]=1)[CH2:49][CH:48]([NH:53][C:54](=[O:59])[C:55]([F:58])([F:57])[F:56])[CH2:47]2.Cl.C(OCC)C>CC(O)C>[F:58][C:55]([F:56])([F:57])[C:54]([NH:53][CH:48]1[CH2:47][C:46]2[C:50](=[CH:51][CH:52]=[C:44]([NH:43][C:13]3[N:18]=[C:17]([C:19]4[C:20]([C:28]5[CH:33]=[CH:32][CH:31]=[C:30]([NH:34][C:35](=[O:42])[CH2:36][C:37]6[S:38][CH:39]=[CH:40][CH:41]=6)[CH:29]=5)=[N:21][N:22]5[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=45)[CH:16]=[CH:15][N:14]=3)[CH:45]=2)[CH2:49]1)=[O:59] | 1 |
[CH:1]([NH:4][C:5]1[C:10]2[C:11]([C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][N:34]=3)=[N:12][N:13](C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)[C:9]=2[CH:8]=[CH:7][N:6]=1)([CH3:3])[CH3:2].C(NC1C2C([Sn](C)(C)C)=NN(C(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC=CC=3)C=2C=CN=1)(C)C.BrC1C=CC=CN=1.[Li+].[Cl-]>[Cu]I.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.C1COCC1>[CH:1]([NH:4][C:5]1[C:10]2[C:11]([C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][N:34]=3)=[N:12][NH:13][C:9]=2[CH:8]=[CH:7][N:6]=1)([CH3:3])[CH3:2] | 2 |
[Cl-].C(C)[N+]1=C(N(C=C1)C)C>C1CCCO1>C(C)N1C(N(CC1)C)=C | 3 |
C([O:8][C:9]1[C:14]([Cl:15])=[CH:13][C:12]([C:16]([N:18]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[N:21]([S:28]([CH3:31])(=[O:30])=[O:29])[CH2:20][CH2:19]2)=[O:17])=[CH:11][C:10]=1[Cl:32])C1C=CC=CC=1>O1CCCC1.[C].[Pd]>[Cl:15][C:14]1[CH:13]=[C:12]([C:16]([N:18]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[N:21]([S:28]([CH3:31])(=[O:30])=[O:29])[CH2:20][CH2:19]2)=[O:17])[CH:11]=[C:10]([Cl:32])[C:9]=1[OH:8] | 2 |
O1C(=CC=C1)C(=O)O.O=C(CNC(C1=CC=C(C=C1)OC1=CC=CC=C1)=O)N1CCNCC1>>O1C(=CC=C1)C(=O)N1CCN(CC1)C(CNC(C1=CC=C(C=C1)OC1=CC=CC=C1)=O)=O | 5 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[C:11]([O:13][CH3:14])=[O:12])[C:5]([OH:7])=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.[Cl:48][C:49]1[CH:56]=[CH:55][C:52]([CH2:53][NH2:54])=[CH:51][CH:50]=1>CN(C=O)C>[NH2:1][C:2]1[CH:3]=[C:4]([C:5]([NH:54][CH2:53][C:52]2[CH:55]=[CH:56][C:49]([Cl:48])=[CH:50][CH:51]=2)=[O:7])[CH:8]=[CH:9][C:10]=1[C:11]([O:13][CH3:14])=[O:12] | 2 |
Cl[C:2]1[N:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][N:3]=1.[Si]([O:29][CH2:30][C:31]1[C:39]([S:40]([CH3:43])(=[O:42])=[O:41])=[CH:38][C:37]2[N:36]3[CH2:44][CH2:45][NH:46][CH:47]([CH:48]([CH3:50])[CH3:49])[C:35]3=[CH:34][C:33]=2[CH:32]=1)(C(C)(C)C)(C1C=CC=CC=1)C1C=CC=CC=1.CCN(C(C)C)C(C)C>CC(O)C.C(Cl)Cl>[CH:48]([CH:47]1[C:35]2=[CH:34][C:33]3[CH:32]=[C:31]([CH2:30][OH:29])[C:39]([S:40]([CH3:43])(=[O:42])=[O:41])=[CH:38][C:37]=3[N:36]2[CH2:44][CH2:45][N:46]1[C:2]1[N:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][N:3]=1)([CH3:50])[CH3:49] | 1 |
[CH2:1]([O:8][C:9]1[C:14]2[CH:15]=[C:16]([C:18](=O)[CH2:19]Br)[O:17][C:13]=2[CH:12]=[C:11]([O:22][CH3:23])[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:24][C:25]([C:28]1[S:32][C:31]([NH2:33])=[N:30][N:29]=1)([F:27])[CH3:26].CC(O)C>C(Cl)Cl>[CH2:1]([O:8][C:9]1[C:14]2[CH:15]=[C:16]([C:18]3[N:33]=[C:31]4[N:30]([CH:19]=3)[N:29]=[C:28]([C:25]([F:27])([F:24])[CH3:26])[S:32]4)[O:17][C:13]=2[CH:12]=[C:11]([O:22][CH3:23])[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[CH3:1][C:2]1([CH3:5])[O:4][CH2:3]1.[F:6][C:7]1[CH:12]=[C:11]([S:13]([CH3:16])(=[O:15])=[O:14])[CH:10]=[CH:9][C:8]=1[C:17]1[CH:18]=[C:19]2[CH:25]=[C:24]([CH:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)[O:23][C:20]2=[CH:21][N:22]=1>CO.ClCCl>[F:6][C:7]1[CH:12]=[C:11]([S:13]([CH3:16])(=[O:15])=[O:14])[CH:10]=[CH:9][C:8]=1[C:17]1[CH:18]=[C:19]2[CH:25]=[C:24]([CH:26]3[CH2:31][CH2:30][N:29]([CH2:3][C:2]([CH3:5])([OH:4])[CH3:1])[CH2:28][CH2:27]3)[O:23][C:20]2=[CH:21][N:22]=1 | 1 |
C([O:3][C:4](=[O:29])[CH2:5][CH2:6][C:7]1[N:8]([C:19]2[CH:24]=[CH:23][C:22]([C:25](=[O:27])[NH2:26])=[CH:21][C:20]=2[CH3:28])[C:9]([C:12]2[CH:17]=[CH:16][C:15]([NH2:18])=[CH:14][CH:13]=2)=[CH:10][CH:11]=1)C.[OH-].[Na+]>CO>[NH2:18][C:15]1[CH:14]=[CH:13][C:12]([C:9]2[N:8]([C:19]3[CH:24]=[CH:23][C:22]([C:25](=[O:27])[NH2:26])=[CH:21][C:20]=3[CH3:28])[C:7]([CH2:6][CH2:5][C:4]([OH:29])=[O:3])=[CH:11][CH:10]=2)=[CH:17][CH:16]=1 | 1 |
N1(CCCCC1)CCN.COC1=CC=C(CN2C(C=3C=CC=NC3C3=C2C=CC(=C3)C(=O)O)=O)C=C1>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>COC1=CC=C(CN2C(C=3C=CC=NC3C3=C2C=CC(=C3)C(=O)NCCN3CCCCC3)=O)C=C1 | 3 |
C(C)OC(=O)C1=CC(=NN1)C=1N=CC(=C2C1NC=C2C(C(=O)O)=O)F.C1(=CC=CC=C1)C1=NNC=C1N1CCNCC1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>FC1=C2C(=C(N=C1)C1=NNC(=C1)C(=O)OCC)NC=C2C(C(N2CCN(CC2)C=2C(=NNC2)C2=CC=CC=C2)=O)=O | 3 |
[CH3:1][O:2][C:3]1[CH:22]=[CH:21][C:6]([CH2:7][C@@H:8]2[C:12]3=[N:13][C:14]4[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=4[N:11]3[C:10](=[O:20])[NH:9]2)=[CH:5][CH:4]=1.[CH3:23][O:24][C:25]1[CH:26]=[C:27]([C@@H:31]([NH2:33])[CH3:32])[CH:28]=[CH:29][CH:30]=1.C(O)(C(F)(F)F)=O>>[NH:11]1[C:15]2[CH:16]=[CH:17][CH:18]=[CH:19][C:14]=2[N:13]=[C:12]1[C@H:8]([NH:9][C:10]([NH:33][C@H:31]([C:27]1[CH:28]=[CH:29][CH:30]=[C:25]([O:24][CH3:23])[CH:26]=1)[CH3:32])=[O:20])[CH2:7][C:6]1[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:22][CH:21]=1 | 2 |
[Si](C)(C)(C(C)(C)C)O[C@@H]1C[C@@H](N(C1)C(=O)OCC1=CC=CC=C1)C=1N=C2N(C=C(C=C2)C2CC2)C1>O.Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>C1(CC1)C=1C=CC=2N(C1)C=C(N2)[C@@H]2N(C[C@@H](C2)O)C(=O)OCC2=CC=CC=C2 | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]1[CH:12]=[CH:13][CH:14]=[C:7]1[CH:6]([CH3:15])[NH:5]2.[C:16](Cl)(=[O:25])[C:17]1[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=1>>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]1[CH:12]=[CH:13][CH:14]=[C:7]1[CH:6]([CH3:15])[N:5]2[C:16](=[O:25])[C:17]1[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[CH:19][CH:18]=1 | 1 |
C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.[O:35]1[CH2:40][CH2:39][N:38]([C:41]2[C:46]([NH2:47])=[CH:45][C:44]([N:48]3[CH2:53][CH2:52][O:51][CH2:50][CH2:49]3)=[CH:43][N:42]=2)[CH2:37][CH2:36]1.Cl[C:55]1[C:64]2[C:59](=[CH:60][C:61]([F:66])=[CH:62][C:63]=2[F:65])[N:58]=[C:57]([C:67]2[CH:68]=[N:69][CH:70]=[CH:71][C:72]=2[CH3:73])[C:56]=1[CH3:74].CC(C)([O-])C.[Na+]>C1(C)C=CC=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)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[O:35]1[CH2:40][CH2:39][N:38]([C:41]2[C:46]([NH:47][C:55]3[C:64]4[C:59](=[CH:60][C:61]([F:66])=[CH:62][C:63]=4[F:65])[N:58]=[C:57]([C:67]4[CH:68]=[N:69][CH:70]=[CH:71][C:72]=4[CH3:73])[C:56]=3[CH3:74])=[CH:45][C:44]([N:48]3[CH2:49][CH2:50][O:51][CH2:52][CH2:53]3)=[CH:43][N:42]=2)[CH2:37][CH2:36]1 | 1 |
OC(CN1N(C(C(=C1C)C(=O)O)=O)C1=CC=CC=C1)(C)C.FC=1C=C(C=CC1OC1=C2C(=NC=C1)C=C(S2)C2=NC(=NO2)C)N>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC=1C=C(C=CC1OC1=C2C(=NC=C1)C=C(S2)C2=NC(=NO2)C)NC(=O)C=2C(N(N(C2C)CC(C)(C)O)C2=CC=CC=C2)=O | 3 |
[CH3:1][C:2]1([CH3:20])[CH2:6][C:5]2[C:7]([CH3:19])=[C:8]([N:13]3[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)[C:9]([CH3:12])=[C:10]([CH3:11])[C:4]=2[O:3]1.Br[C:22]1[CH:23]=[CH:24][C:25]([O:28][CH3:29])=[N:26][CH:27]=1>>[CH3:29][O:28][C:25]1[N:26]=[CH:27][C:22]([N:16]2[CH2:15][CH2:14][N:13]([C:8]3[C:9]([CH3:12])=[C:10]([CH3:11])[C:4]4[O:3][C:2]([CH3:20])([CH3:1])[CH2:6][C:5]=4[C:7]=3[CH3:19])[CH2:18][CH2:17]2)=[CH:23][CH:24]=1 | 1 |
[CH:1]1([CH2:4][O:5][C:6]2[C:11]([C:12]3[C:13]4[CH:22]=[CH:21][N:20]([S:23]([C:26]5[CH:32]=[CH:31][C:29]([CH3:30])=[CH:28][CH:27]=5)(=[O:25])=[O:24])[C:14]=4[C:15](=[O:19])[N:16]([CH3:18])[CH:17]=3)=[C:10]([CH3:33])[C:9]([N+:34]([O-])=O)=[CH:8][CH:7]=2)[CH2:3][CH2:2]1.CN1C=C(C2C=C([N+]([O-])=O)C=CC=2OC2C=CC=CC=2)C2C=CNC=2C1=O>>[NH2:34][C:9]1[C:10]([CH3:33])=[C:11]([C:12]2[C:13]3[CH:22]=[CH:21][N:20]([S:23]([C:26]4[CH:27]=[CH:28][C:29]([CH3:30])=[CH:31][CH:32]=4)(=[O:25])=[O:24])[C:14]=3[C:15](=[O:19])[N:16]([CH3:18])[CH:17]=2)[C:6]([O:5][CH2:4][CH:1]2[CH2:2][CH2:3]2)=[CH:7][CH:8]=1 | 1 |
C(C1=CC=CC=C1)N1C(N(CC1)[C@H](C(=O)OC(C)(C)C)C(C)(C)C)=O>>C(C1=CC=CC=C1)N1C(N(CC1)[C@H](C(=O)O)C(C)(C)C)=O | 5 |
CC1=C(C=CC=C1C(F)(F)F)NC(C(=O)OCC)=O>>CC1=C(C=CC=C1C(F)(F)F)NC(C(=O)O)=O | 5 |
[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([O:10][C@@H:11]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:12][CH2:13]Cl)[CH:3]=1.[I-:21].[Na+]>CC(C)=O>[Cl:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([O:10][C@@H:11]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH2:12][CH2:13][I:21])[CH:3]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:28]=[C:29]([O:33][CH3:34])[C:30]=1[O:31][CH3:32])[C:6]([N:8]1[CH2:12][CH2:11][C@@:10]([CH2:21][CH2:22]CS([O-])(=O)=O)([C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]([Cl:20])[CH:14]=2)[CH2:9]1)=[O:7].[CH3:35][N:36]1[CH2:41][CH2:40][N:39]([C:42]([NH2:44])=[O:43])[CH2:38][CH2:37]1.[N:45]1[CH:50]=[CH:49][CH:48]=[C:47]([C:51]2([C:57]([OH:59])=[O:58])[CH2:56][CH2:55][NH:54][CH2:53][CH2:52]2)[CH:46]=1.C(OCC)(=O)C>CO.ClCCl>[CH3:35][N:36]1[CH2:41][CH2:40][N:39]([C:42]([NH2:44])=[O:43])[CH2:38][CH2:37]1.[Cl:20][C:15]1[CH:14]=[C:13]([C@@:10]2([CH2:21][CH2:22][N:54]3[CH2:53][CH2:52][C:51]([C:47]4[CH:46]=[N:45][CH:50]=[CH:49][CH:48]=4)([C:57]([OH:59])=[O:58])[CH2:56][CH2:55]3)[CH2:11][CH2:12][N:8]([C:6](=[O:7])[C:5]3[CH:28]=[C:29]([O:33][CH3:34])[C:30]([O:31][CH3:32])=[C:3]([O:2][CH3:1])[CH:4]=3)[CH2:9]2)[CH:18]=[CH:17][C:16]=1[Cl:19] | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6]1[CH2:11][CH:12]3[N:16]([CH2:17][C:5]2=1)[CH2:15][CH2:14][CH2:13]3.ClC1C=CC2NC3CCN4C(C=3C=2C=1)CCC4.Br[CH2:36][CH2:37][C:38]1[CH:43]=[CH:42][C:41]([F:44])=[CH:40][CH:39]=1.C(N(CC)CC)C>CCO.CCOC(C)=O>[F:44][C:41]1[CH:42]=[CH:43][C:38]([CH2:37][CH2:36][N:7]2[C:8]3[C:4](=[CH:3][C:2]([Cl:1])=[CH:10][CH:9]=3)[C:5]3[CH2:17][N:16]4[CH:12]([CH2:11][C:6]2=3)[CH2:13][CH2:14][CH2:15]4)=[CH:39][CH:40]=1 | 1 |
ClC1=CC=C(CNC(=O)C=2C(C=3C=4N(CC(N(C4C=C(C3)CCl)C)=O)C2)=O)C=C1.CC=1OC(=CC1C(CNC)O)C>>ClC1=CC=C(CNC(=O)C=2C(C=3C=4N(CC(N(C4C=C(C3)CN(C)CC(O)C3=C(OC(=C3)C)C)C)=O)C2)=O)C=C1 | 5 |
COC(C1=C(C=CC(=C1)C#CC1=CC=CC=C1)OC(C)C)=O>>C(C)(C)OC1=C(C(=O)O)C=C(C=C1)C#CC1=CC=CC=C1 | 5 |
[Mg].[C:2]([O:10][CH2:11][CH3:12])(=[O:9])[CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5].[CH2:13]([CH:16]1[CH2:21][CH2:20][CH:19]([C:22](Cl)=[O:23])[CH2:18][CH2:17]1)[CH2:14][CH3:15].OS(O)(=O)=O>CCO.C1(C)C=CC=CC=1.[Cl-].[Na+].O.C(Cl)(Cl)(Cl)Cl>[CH2:11]([O:10][C:2](=[O:9])[CH:3]([C:22]([CH:19]1[CH2:20][CH2:21][CH:16]([CH2:13][CH2:14][CH3:15])[CH2:17][CH2:18]1)=[O:23])[C:4]([O:6][CH2:7][CH3:8])=[O:5])[CH3:12] | 1 |
[C:1]([O:5][C:6](=[O:33])[CH2:7][CH2:8][C:9]([N:11]([CH3:32])[CH2:12][CH2:13][N:14]([CH2:20][C:21]1[CH:22]=[C:23]([CH:29]=[CH:30][N:31]=1)[C:24]([O:26]CC)=[O:25])[CH:15]([CH2:18][CH3:19])[CH2:16][CH3:17])=[O:10])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].CO.Cl>O.C1COCC1>[C:1]([O:5][C:6](=[O:33])[CH2:7][CH2:8][C:9]([N:11]([CH3:32])[CH2:12][CH2:13][N:14]([CH2:20][C:21]1[CH:22]=[C:23]([CH:29]=[CH:30][N:31]=1)[C:24]([OH:26])=[O:25])[CH:15]([CH2:18][CH3:19])[CH2:16][CH3:17])=[O:10])([CH3:2])([CH3:3])[CH3:4] | 1 |
N[C@@H](C)C1=NN2C(C(N1C1=CC=CC=C1)=O)=C(C=C2)C.NC1=NC=NC(=C1C(=O)OC1=CC(=CC(=C1)NS(=O)(=O)C)O)Cl>C(C)(C)(C)O.C(C)(C)N(C(C)C)CC.[F-].[Cs+]>NC1=NC=NC(=C1C(=O)OC1=CC(=CC(=C1)NS(=O)(=O)C)O)N[C@@H](C)C1=NN2C(C(N1C1=CC=CC=C1)=O)=C(C=C2)C | 3 |
C(C)(=O)C1=NC=C(C(=C1)N1C(C(=C(C=C1C)OCC1=NC=C(C=C1F)F)Cl)=O)CC>COC(N(C)C)OC>ClC=1C(N(C(=CC1OCC1=NC=C(C=C1F)F)C)C1=CC(=NC=C1CC)C(\C=C\N(C)C)=O)=O | 3 |
BrC=1C=C(C=C(C1)C(F)(F)F)N.N1C(=NC=C1)CN(C)C>>CN(C)CC=1N(C=CN1)C=1C=C(N)C=C(C1)C(F)(F)F | 5 |
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