smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
N[C@H]1CC[C@@H](C2=CC=CC=C12)O.FC=1C=CC=2N(C1)C(=NN2)N2[C@H](CCCC2)C>N(C)(C)C=O.CO[H].ClCCl.[Na].N>C[C@@H]1N(CCCC1)C1=NN=C2N1C=C(C=C2)O[C@H]2CC[C@@H](C1=CC=CC=C21)N | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]([OH:12])=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8].F[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=1[N+:20]([O-:22])=[O:21].C(=O)([O-])[O-].[Cs+].[Cs+].C(OCC)(=O)C>C(#N)C>[F:1][C:2]1[CH:3]=[CH:4][C:5]([O:12][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[N+:20]([O-:22])=[O:21])=[C:6]([CH:11]=1)[C:7]([O:9][CH3:10])=[O:8] | 1 |
N(=[N+]=[N-])C1=C(SC=C1)/C=C/C(=O)C1=CC(=C(C(=C1)OC)OC)OC>>S1C=CC=2NC(=CC21)C(=O)C2=CC(=C(C(=C2)OC)OC)OC | 3 |
BrC1=C2C=CC=NC2=C(C=C1)C=O>O.CCO[H].O(C(C)(C)C)C.[OH-].[Na+].Cl.NO.C(C)(=O)[O-].[Na+].CCCCCCC>BrC1=C2C=CC=NC2=C(C=C1)C=NO | 3 |
[CH2:1]([CH:3]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:4][N:5]1[C:17]2[CH:16]=[CH:15][C:14]([C:18]([C:20]3[C:25]([CH3:26])=[CH:24][C:23]([CH3:27])=[CH:22][C:21]=3[CH3:28])=[O:19])=[CH:13][C:12]=2[C:11]2[C:6]1=[CH:7][CH:8]=[C:9]([C:29](=O)[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[CH3:36])[CH:10]=2)[CH3:2].[Cl-].[OH:43][NH3+:44].O>N1C=CC=CC=1>[CH2:1]([CH:3]([CH2:38][CH2:39][CH2:40][CH3:41])[CH2:4][N:5]1[C:17]2[CH:16]=[CH:15][C:14]([C:18]([C:20]3[C:21]([CH3:28])=[CH:22][C:23]([CH3:27])=[CH:24][C:25]=3[CH3:26])=[O:19])=[CH:13][C:12]=2[C:11]2[C:6]1=[CH:7][CH:8]=[C:9]([C:29](=[N:44][OH:43])[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[CH3:36])[CH:10]=2)[CH3:2] | 2 |
[H-].[Na+].[Cl:3][C:4]1[CH:9]=[C:8]([Cl:10])[CH:7]=[C:6]([Cl:11])[C:5]=1[CH2:12][C:13]#[N:14].Br[CH2:16][CH2:17]Br>C1COCC1>[Cl:3][C:4]1[CH:9]=[C:8]([Cl:10])[CH:7]=[C:6]([Cl:11])[C:5]=1[C:12]1([C:13]#[N:14])[CH2:17][CH2:16]1 | 2 |
[C:1]([O:5][C:6](=[O:17])[C:7]1[CH:12]=[CH:11][C:10]([CH3:13])=[C:9]([N+:14]([O-])=O)[CH:8]=1)([CH3:4])([CH3:3])[CH3:2].O.NN>CO>[C:1]([O:5][C:6](=[O:17])[C:7]1[CH:12]=[CH:11][C:10]([CH3:13])=[C:9]([NH2:14])[CH:8]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
[CH2:1]([O:3][C:4]([C:6]1[CH:10]=[C:9]([CH2:11][OH:12])[N:8]([CH2:13][C:14]2[CH:18]=[C:17]([C:19]3[S:20][C:21]([Cl:24])=[CH:22][CH:23]=3)[O:16][N:15]=2)[N:7]=1)=[O:5])[CH3:2].Br[CH2:26][CH2:27][O:28][CH2:29][CH2:30][O:31][CH3:32].O>CN(C=O)C>[CH2:1]([O:3][C:4]([C:6]1[CH:10]=[C:9]([CH2:11][O:12][CH2:26][CH2:27][O:28][CH2:29][CH2:30][O:31][CH3:32])[N:8]([CH2:13][C:14]2[CH:18]=[C:17]([C:19]3[S:20][C:21]([Cl:24])=[CH:22][CH:23]=3)[O:16][N:15]=2)[N:7]=1)=[O:5])[CH3:2] | 1 |
ClC=1C=C(CN)C=CC1.COC=1C=CC(=NC1OC)N1C(NC2=CC(=CC=C2C1=O)C(=O)O)=S>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>ClC=1C=C(CNC(=O)C2=CC=C3C(N(C(NC3=C2)=S)C2=NC(=C(C=C2)OC)OC)=O)C=CC1 | 3 |
[NH2:1][C:2]1[S:3][C:4]([CH3:14])=[C:5]([CH:7]([CH3:13])[C:8]([O:10][CH2:11][CH3:12])=[O:9])[N:6]=1.[Cl:15][CH2:16][C:17](=O)[CH2:18][C:19](OCC)=[O:20].C(=O)([O-])[O-].[Na+].[Na+]>>[Cl:15][CH2:16][C:17]1[N:1]=[C:2]2[S:3][C:4]([CH3:14])=[C:5]([CH:7]([CH3:13])[C:8]([O:10][CH2:11][CH3:12])=[O:9])[N:6]2[C:19](=[O:20])[CH:18]=1 | 2 |
C1(=CC=CC=C1)CN1CCC(CC1)=O.ClC1=NC=C(C(=O)O)C=C1.CC1(NC(CNC1)(C)C)C>C1CCCO1.C(CCC)[Li].CCCCCC>C(C1=CC=CC=C1)N1CCC2(CC1)OC(C=1C=NC(=CC12)Cl)=O | 3 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1OC)CC(C)N>O1CCOCC1.C(=O)O>C(C1=CC=CC=C1)OC=1C=C(C=CC1OC)CC(C)NC=O | 3 |
[CH3:1][C:2]1[C:11]2[C:10](=O)[CH2:9][CH:8]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=3)[CH2:7][C:6]=2[N:5]=[CH:4][CH:3]=1.[C:19]([NH:22][NH2:23])([NH2:21])=[NH:20].[ClH:24].Cl.O>C(O)C>[ClH:24].[NH:22]([N:23]=[C:10]1[CH2:9][CH:8]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][N:14]=2)[CH2:7][C:6]2[N:5]=[CH:4][CH:3]=[C:2]([CH3:1])[C:11]1=2)[C:19]([NH2:21])=[NH:20] | 1 |
COC1=CC=C(CN(C=2N=CC3C=C(C(N(C3C2)CC)=O)C=2C(=CC(=C(C2)NC(=O)NC2=CC(=CC(=C2)F)F)F)F)C)C=C1>>FC=1C=C(C=C(C1)F)NC(=O)NC1=C(C=C(C(=C1)C=1C(N(C2C=C(N=CC2C1)NC)CC)=O)F)F | 5 |
C1CC(CCC12CCCCC2)=O>CC(C)(C)[O-].[K+].CCO[H].COCCOC.C1(=CC=C(C=C1)S(=O)(=O)C[N+]#[C-])C>C1CC(CCC12CCCCC2)C#N | 3 |
O[CH2:2][N:3]1[CH2:7][CH2:6][CH2:5][C:4]1=[O:8].S(=O)(=O)(O)O.[Cl:14][CH:15]=[CH:16]Cl.C([O-])([O-])=[O:19].[K+].[K+]>O>[Cl:14][CH:15]([CH2:2][N:3]1[CH2:7][CH2:6][CH2:5][C:4]1=[O:8])[CH:16]=[O:19] | 1 |
[F:1][C:2]1[C:3]([NH:9][C:10](=[O:12])[CH3:11])=[N:4][C:5](=[O:8])[NH:6][CH:7]=1.[CH3:13][C:14]1[CH:22]=[CH:21][C:17]([C:18](Cl)=[O:19])=[CH:16][CH:15]=1.CCN(CC)CC>C(Cl)Cl>[F:1][C:2]1[C:3]([NH:9][C:10](=[O:12])[CH3:11])=[N:4][C:5](=[O:8])[N:6]([C:18](=[O:19])[C:17]2[CH:21]=[CH:22][C:14]([CH3:13])=[CH:15][CH:16]=2)[CH:7]=1 | 1 |
CSC1=C(C(=NS1)C(F)(F)F)C(=O)OCC>CCO[H].[OH-].[K+]>CSC1=C(C(=NS1)C(F)(F)F)C(=O)O | 3 |
ClC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]>>C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] | 5 |
C(C1=CC=CC=C1)(=O)Cl.NCCOC1=CC=C(C=C1)C1C(CN(CC1)C(=O)OC(C)(C)C)OCC1=CC2=CC=CC=C2C=C1>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>C(C1=CC=CC=C1)(=O)NCCOC1=CC=C(C=C1)C1C(CN(CC1)C(=O)OC(C)(C)C)OCC1=CC2=CC=CC=C2C=C1 | 3 |
ClC=1C=C(C=2N(N1)C=C(N2)C(=O)OCC)N2CCOCC2>>O1CCN(CC1)C=1C=2N(N=CC1)C=C(N2)C(=O)OCC | 5 |
C1(C(C2C=CC=CC=2)=[N:8][C:9]2[CH:10]=[C:11]3[CH:17]=[N:16][N:15]([CH3:18])[C:12]3=[N:13][CH:14]=2)C=CC=CC=1.Cl.C(=O)([O-])[O-].[Na+].[Na+]>O1CCCC1>[CH3:18][N:15]1[C:12]2=[N:13][CH:14]=[C:9]([NH2:8])[CH:10]=[C:11]2[CH:17]=[N:16]1 | 1 |
FC1=C(C(=CC2=C1N=NS2)C(=O)OC)NC2=C(C=C(C=C2)I)F>>FC1=C(C(=CC2=C1N=NS2)C(=O)O)NC2=C(C=C(C=C2)I)F | 5 |
C(C)(C)(C)[Si](C)(C)Cl.OC=1C=C2C=C(NC2=CC1)C(=O)O>>C(C)OC(=O)C=1NC2=CC=C(C=C2C1)O[Si](C)(C)C(C)(C)C | 5 |
BrC=1C(=C(C=CC1)N)C>O.C(Cl)(Cl)(Cl)[H].Cl.C(C)(=O)OC(C)=O.N(=O)OCCC(C)C.C(C)(=O)[O-].[K+]>O1C(CCCC1)N1N=CC2=C(C=CC=C12)B1OC(C(O1)(C)C)(C)C | 3 |
FC1(CC(C(C1)CC[C@H]1CN(CCN1S(=O)(=O)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1)NC(=O)OCC[Si](C)(C)C)F>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>NC1C(CC(C1)(F)F)CC[C@H]1CN(CCN1S(=O)(=O)C1=CC=CC=C1)C(=O)OCC1=CC=CC=C1 | 3 |
C(C1=CC=CC=C1)Br.OCC1=CC=C(C=C1)B(O)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].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CN(C=O)C.O>C(C1=CC=CC=C1)C1=CC=C(CO)C=C1 | 3 |
[Si](C)(C)(C(C)(C)C)OC1(CC1)CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CN2>>OC1(CC1)CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O)CCC)N=CN2 | 5 |
[C:1](=[O:3])=[O:2].[CH2:4]([S:12][CH2:13][CH2:14][NH2:15])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11]>C(#N)C>[C:1](=[O:3])([OH:2])[NH2:15].[CH2:4]([S:12][CH2:13][CH2:14][NH2:15])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11] | 1 |
[Cl:1][C:2]1[N:7]=[C:6](Cl)[CH:5]=[CH:4][N:3]=1.[CH3:9][N:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1.C(N(C(C)C)C(C)C)C>C(O)C>[Cl:1][C:2]1[N:7]=[C:6]([N:13]2[CH2:14][CH2:15][N:10]([CH3:9])[CH2:11][CH2:12]2)[CH:5]=[CH:4][N:3]=1 | 1 |
C(CCC1=CC=CC=C1)(=O)Cl.NC(C(O)C1=CC=CC=C1)CC1=CC=C(C=C1)C(F)(F)F>>OC(C(CC1=CC=C(C=C1)C(F)(F)F)NC(CCC1=CC=CC=C1)=O)C1=CC=CC=C1 | 5 |
O(C1=CC=CC=C1)C(=O)NOC(=O)OC1=CC=CC=C1.OC(C#CC=1C=C2CCN(C(C2=CC1)=O)CC1=NC=C(C=C1)C1=CC=C(C=C1)F)C>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>O(C1=CC=CC=C1)C(=O)N(C(C#CC=1C=C2CCN(C(C2=CC1)=O)CC1=NC=C(C=C1)C1=CC=C(C=C1)F)C)OC(=O)OC1=CC=CC=C1 | 3 |
[CH3:1][S:2]([C:5]1[CH:10]=[CH:9][C:8]([N:11]2[CH2:15][C:14](O)([C:16]([F:19])([F:18])[F:17])[N:13]=[C:12]2[C:21]2[CH:29]=[CH:28][C:24]3[O:25][CH2:26][O:27][C:23]=3[CH:22]=2)=[CH:7][CH:6]=1)(=[O:4])=[O:3].O.C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[CH3:1][S:2]([C:5]1[CH:6]=[CH:7][C:8]([N:11]2[CH:15]=[C:14]([C:16]([F:19])([F:18])[F:17])[N:13]=[C:12]2[C:21]2[CH:29]=[CH:28][C:24]3[O:25][CH2:26][O:27][C:23]=3[CH:22]=2)=[CH:9][CH:10]=1)(=[O:4])=[O:3] | 1 |
FC1(CCC(CC1)CC1=CN(C2=NC=C(C=C21)C=2C(=NOC2C)C)C2=CC=C(C=N2)C(=O)OCC)F>>FC1(CCC(CC1)CC1=CN(C2=NC=C(C=C21)C=2C(=NOC2C)C)C2=CC=C(C=N2)C(=O)O)F | 5 |
[Si:1]([O:8][C@H:9]1[CH2:14][CH2:13][C@H:12](/[CH:15]=[C:16](\[CH3:19])/[CH:17]=[O:18])[CH2:11][CH2:10]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[C:20]1([CH2:26][CH2:27][CH2:28][Mg]Br)[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.C1(CCCC(O)CCCC2C=CC=CC=2)C=CC=CC=1>C1COCC1>[Si:1]([O:8][C@H:9]1[CH2:10][CH2:11][C@H:12](/[CH:15]=[C:16](\[CH3:19])/[CH:17]([OH:18])[CH2:28][CH2:27][CH2:26][C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)[CH2:13][CH2:14]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2] | 1 |
Br[C:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[N:4]([CH2:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[C:3]=1[CH3:19].[CH3:20][O:21][C:22]1[N:27]=[CH:26][C:25](B(O)O)=[CH:24][CH:23]=1.C([O-])([O-])=O.[Cs+].[Cs+]>COCCOC.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[CH3:20][O:21][C:22]1[N:27]=[CH:26][C:25]([C:2]2[C:10]3[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=3)[N:4]([CH2:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[C:3]=2[CH3:19])=[CH:24][CH:23]=1 | 2 |
COC(C1=CC=C(C=C1)C=O)=O.C(C)OP(OCC)(=O)CC1=CC=C(C=C1)[N+](=O)[O-]>>[N+](=O)([O-])C1=CC=C(C=C1)/C=C/C1=CC=C(C(=O)OC)C=C1 | 5 |
C(C1=CC=CC=C1)ON([C@@H]1C[C@H]([C@H](N(C1)C(=O)OC(C)(C)C)C(NC=1C=CC=C2C=CC=NC12)=O)CC(=O)OC)C(=O)OC(C)(C)C>C1CCCO1.C(C)(=O)OCC.C(C)(=O)O.[Cl-].[NH4+].C(C)[BH-](CC)CC.[Li+]>C(C1=CC=CC=C1)ON([C@@H]1C[C@H]([C@H](N(C1)C(=O)OC(C)(C)C)C(NC=1C=CC=C2C=CC=NC12)=O)CCO)C(=O)OC(C)(C)C | 3 |
[Si:1]([O:8][CH2:9][C:10]1[N:14]2[C:15](=[O:42])[N:16]([CH:18]3[CH2:23][CH2:22][N:21]([C:24]([C@H:26]([NH:31]C(=O)OCC4C=CC=CC=4)[C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:20][CH2:19]3)[CH2:17][C:13]2=[CH:12][N:11]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2]>CO.[C].[Pd]>[NH2:31][C@H:26]([C:27]([CH3:30])([CH3:29])[CH3:28])[C:24]([N:21]1[CH2:22][CH2:23][CH:18]([N:16]2[CH2:17][C:13]3=[CH:12][N:11]=[C:10]([CH2:9][O:8][Si:1]([C:4]([CH3:5])([CH3:6])[CH3:7])([CH3:2])[CH3:3])[N:14]3[C:15]2=[O:42])[CH2:19][CH2:20]1)=[O:25] | 1 |
[C:1]([O-:14])(=[O:13])[CH2:2][CH2:3]CCCCCCCCC.[C:15]([O-:28])(=[O:27])[CH2:16][CH2:17]CCCCCCCCC.C([Sn+2]CCCC)CCC.COC1C=CC(O)=CC=1.O=C=[N:49]C1CC(C)(C)CC(C)(CN=C=O)C1.[C:63]([O:67][CH2:68][CH2:69]O)(=[O:66])C=C>C(OCCCC)(=O)C>[C:1]([OH:14])(=[O:13])[CH:2]=[CH2:3].[C:15]([OH:28])(=[O:27])[CH:16]=[CH2:17].[NH2:49][C:63]([O:67][CH2:68][CH3:69])=[O:66] | 1 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl>C1CCCO1.c1ccncc1>Cl.C(OCC)(OCCCCNC)=O | 3 |
NC1=CC=C(C=C1)C1=C(C(=NN1C(C)(C)C)NC1=CC(=NC=C1)OCCOC)C(=O)N>ClCCl.c1ccncc1.C(C)S(=O)(=O)Cl>C(C)(C)(C)N1N=C(C(=C1C1=CC=C(C=C1)NS(=O)(=O)CC)C(=O)N)NC1=CC(=NC=C1)OCCOC | 3 |
C(C)N(S(=O)(=O)C1=CC(=C(C(=C1)Cl)OC)OC)CC>O.ClCCl.Cl.B(Br)(Br)Br>C(C)N(S(=O)(=O)C1=C(C(=CC(=C1)Cl)O)O)CC | 3 |
ClC1=NC=C(C(=N1)N[C@H]1CN(CCC1)C(C=C)=O)F.C1(CC1)N1CC2=C(CCC1)C=CC(=C2)N>>C1(CC1)N1CC2=C(CCC1)C=CC(=C2)NC2=NC=C(C(=N2)N[C@H]2CN(CCC2)C(C=C)=O)F | 5 |
[C:1]([N:3]=[C:4]([N:16]1[CH2:21][CH2:20][N:19]([C:22]([NH:24][C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[CH:26]=2)=[O:23])[CH2:18][CH:17]1[CH:32]([CH3:34])[CH3:33])[NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([N+:12]([O-])=O)[C:7]=1[CH3:15])#[N:2]>[Pd].CO>[NH2:12][C:8]1[C:7]([CH3:15])=[C:6]([NH:5][C:4]([N:16]2[CH2:21][CH2:20][N:19]([C:22]([NH:24][C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([F:31])[CH:26]=3)=[O:23])[CH2:18][CH:17]2[CH:32]([CH3:33])[CH3:34])=[N:3][C:1]#[N:2])[CH:11]=[CH:10][CH:9]=1 | 2 |
[SH:1][C:2]1[S:3][C:4]2[C:9]([N:10]=1)=[CH:8][CH:7]=[CH:6][N:5]=2.[CH2:11]([O:15][C:16](=[O:19])[CH2:17]Cl)[CH2:12][CH2:13][CH3:14].C(OCC)(=O)C>C(=O)([O-])[O-].[K+].[K+]>[CH2:11]([O:15][C:16]([CH2:17][S:1][C:2]1[S:3][C:4]2[C:9]([N:10]=1)=[CH:8][CH:7]=[CH:6][N:5]=2)=[O:19])[CH2:12][CH2:13][CH3:14] | 1 |
[CH2:1]([N:4]1[CH2:9][CH2:8][O:7][C:6]2[CH:10]=[C:11]([CH3:50])[C:12]([C:14]3[N:19]4[N:20]=[C:21]([C:23]5[CH:24]=[C:25]([C:29]6[CH:34]=[CH:33][CH:32]=[CH:31][C:30]=6[CH2:35][CH2:36][CH:37]=[CH2:38])[CH:26]=[CH:27][CH:28]=5)[CH:22]=[C:18]4[N:17]=[C:16]([CH3:39])[C:15]=3[C@H:40]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])[C:41]([O:43][CH3:44])=[O:42])=[CH:13][C:5]1=2)C=C>ClCCCl.CC1C=C(C)C(N2C(=[Ru](Cl)(Cl)=CC3C(OC(C)C)=CC=CC=3)N(C3C(C)=CC(C)=CC=3C)CC2)=C(C)C=1>[C:46]([O:45][C@@H:40]([C:15]1[C:16]([CH3:39])=[N:17][C:18]2=[CH:22][C:21]3=[N:20][N:19]2[C:14]=1[C:12]1[CH:13]=[C:5]2[C:6]([O:7][CH2:8][CH2:9][N:4]2[CH2:1][CH:38]=[CH:37][CH2:36][CH2:35][C:30]2[CH:31]=[CH:32][CH:33]=[CH:34][C:29]=2[C:25]2[CH:24]=[C:23]3[CH:28]=[CH:27][CH:26]=2)=[CH:10][C:11]=1[CH3:50])[C:41]([O:43][CH3:44])=[O:42])([CH3:49])([CH3:48])[CH3:47] | 1 |
ClC1=CC=C(C=C1)B(O)O.FC(C1=CC=C(CN2N=C3N(N=C(C(=C3)C3=CC=C(C=C3)Cl)Cl)C2=O)C=C1)(F)F>>FC(C1=CC=C(CN2N=C3N(N=C(C(=C3)C3=CC=C(C=C3)Cl)C3=CC=C(C=C3)Cl)C2=O)C=C1)(F)F | 5 |
C(CC)(=O)Cl.FC=1C=C(C=CC1Cl)O>ClCCl.CCN(CC)CC>ClC=1C(=CC(=C(C1)C(CC)=O)O)F | 3 |
C(C=C)N(C1=C(C=C(C(=O)OC)C=C1)C)C(CCC=C)=O>C(C1=CC=CC=C1)=C1C(C(CCC1)P(C1CCCCC1)(C1CCCCC1)(Cl)Cl)=C1N(CCN1C1=C(C=C(C=C1C)C)C)C1=C(C=C(C=C1C)C)C.[Ru]>N1(C(CC=CCC1)=O)C1=C(C=C(C(=O)OC)C=C1)C | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]2[C:10](=[O:18])[NH:11][NH:12][C:13]=2[C:14]([F:17])([F:16])[F:15])=[CH:4][CH:3]=1.[CH3:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][C:27]2[C:28]([O:36][C@@H:37]3[O:54][C@H:53]([CH2:55][O:56][C:57](=[O:59])[CH3:58])[C@@H:48]([O:49][C:50](=[O:52])[CH3:51])[C@H:43]([O:44][C:45](=[O:47])[CH3:46])[C@H:38]3[O:39][C:40](=[O:42])[CH3:41])=[N:29][NH:30][C:31]=2[C:32]([F:35])([F:34])[F:33])=[CH:22][CH:21]=1>>[CH3:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][C:27]2[C:28]([O:36][C@@H:37]3[O:54][C@H:53]([CH2:55][O:56][C:57](=[O:59])[CH3:58])[C@@H:48]([O:49][C:50](=[O:52])[CH3:51])[C@H:43]([O:44][C:45](=[O:47])[CH3:46])[C@H:38]3[O:39][C:40](=[O:42])[CH3:41])=[N:29][NH:30][C:31]=2[C:32]([F:35])([F:34])[F:33])=[CH:22][CH:21]=1.[C@@H:37]1([O:18][C:10]2[C:9]([CH2:8][C:5]3[CH:4]=[CH:3][C:2]([CH3:1])=[CH:7][CH:6]=3)=[C:13]([C:14]([F:17])([F:16])[F:15])[NH:12][N:11]=2)[O:54][C@H:53]([CH2:55][OH:56])[C@@H:48]([OH:49])[C@H:43]([OH:44])[C@H:38]1[OH:39] | 1 |
[Cl:1][C:2]1[C:8]([C:9]([F:12])([F:11])[F:10])=[CH:7][C:6]([Cl:13])=[CH:5][C:3]=1[NH2:4].[F:14][C:15]1[CH:25]=[CH:24][CH:23]=[C:22]([F:26])[C:16]=1[C:17]([N:19]=[C:20]=[O:21])=[O:18].CCCCCC>C1C=CC=CC=1>[Cl:1][C:2]1[C:8]([C:9]([F:11])([F:10])[F:12])=[CH:7][C:6]([Cl:13])=[CH:5][C:3]=1[NH:4][C:20]([NH:19][C:17](=[O:18])[C:16]1[C:22]([F:26])=[CH:23][CH:24]=[CH:25][C:15]=1[F:14])=[O:21] | 1 |
[CH3:1][C:2]1[NH:3][CH:4]2[CH:9]=[CH:8][CH:7]=[CH:6][N:5]2[C:10]=1[C:11]([OH:13])=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[NH:38]1[CH:42]=[CH:41][N:40]=[C:39]1[NH:43][C:44]([C:46]1[C:54]2[NH:53][C:52]([NH2:55])=[N:51][C:50]=2[CH:49]=[CH:48][CH:47]=1)=[O:45]>CN(C=O)C.CCN(C(C)C)C(C)C.[Cl-].[Na+].O>[NH:40]1[CH:41]=[CH:42][N:38]=[C:39]1[NH:43][C:44]([C:46]1[C:54]2[N:53]=[C:52]([NH:55][C:11]([C:10]3[N:5]4[CH:6]=[CH:7][CH:8]=[CH:9][C:4]4=[N:3][C:2]=3[CH3:1])=[O:13])[NH:51][C:50]=2[CH:49]=[CH:48][CH:47]=1)=[O:45] | 1 |
NC1=CC2=C(C=C1C(C)=O)OCO2.O1C=C(C2=C1C=CC=C2)C(=O)Cl>>C(C)(=O)C=1C(=CC2=C(OCO2)C1)NC(=O)C1=COC2=C1C=CC=C2 | 5 |
CS(O[CH2:6][CH2:7][CH:8]([S:13][CH3:14])[C:9]([F:12])([F:11])[F:10])(=O)=O.[F:15][C:16]([F:28])([F:27])[CH2:17][CH2:18][S:19]([CH2:22][C:23]([O:25][CH3:26])=[O:24])(=[O:21])=[O:20].[H-].[Na+].Cl>CS(C)=O>[F:12][C:9]([F:10])([F:11])[CH:8]([S:13][CH3:14])[CH2:7][CH2:6][CH:22]([S:19]([CH2:18][CH2:17][C:16]([F:27])([F:28])[F:15])(=[O:21])=[O:20])[C:23]([O:25][CH3:26])=[O:24] | 1 |
[NH2:1][C:2]1[N:7]2[O:8][C:9](=[O:11])[N:10]=[C:6]2[N:5]=[C:4]([N:12]([CH2:16][CH:17]=[CH2:18])[CH2:13][CH:14]=[CH2:15])[N:3]=1.C(Cl)Cl.C(N(CC)CC)C.[C:29](Cl)(=[O:32])[CH2:30][CH3:31]>O>[CH2:13]([N:12]([CH2:16][CH:17]=[CH2:18])[C:4]1[N:3]=[C:2]([NH:1][C:29](=[O:32])[CH2:30][CH3:31])[N:7]2[O:8][C:9](=[O:11])[N:10]=[C:6]2[N:5]=1)[CH:14]=[CH2:15] | 1 |
IC1=CC=CC=C1.C(=S)=S.C(CC)(=O)Cl>[Al](Cl)(Cl)Cl>IC1=CC=C(C=C1)C(CC)=O | 3 |
CNC=O.NC1=CC=C(C(=C1C(=O)OC(C)(C)C)C)OC1=C(C(=CC(=C1F)N(S(=O)(=O)CCC)S(=O)(=O)CCC)F)F>C(=O)O>CN1C=NC2=CC=C(C(=C2C1=O)C)OC=1C(=C(C=C(C1F)F)NS(=O)(=O)CCC)F | 3 |
NC1=NN=C(S1)S.BrC=1SC(=CN1)[N+](=O)[O-]>CO[H].C[O-].[Na+]>[N+](=O)([O-])C1=CN=C(S1)SC1=NN=C(S1)N | 3 |
[CH3:1][C:2]([CH3:4])=[O:3].[OH:5][C:6]1C=[CH:10][C:9](CC(O)=O)=[CH:8][CH:7]=1.[Cl:16][C:17]1[CH:23]=[CH:22][C:20]([NH2:21])=[CH:19][CH:18]=1.P(Cl)(Cl)(Cl)(Cl)Cl>C1(C)C=C(C)C=C(C)C=1.C(C(CC)=O)C>[Cl:16][C:17]1[CH:23]=[CH:22][C:20]([NH:21][C:6]([CH2:7][C:8]2[CH:1]=[C:2]([OH:3])[CH:4]=[CH:10][CH:9]=2)=[O:5])=[CH:19][CH:18]=1 | 1 |
CC1=CC=C2CCCN3C2=C1NC3=O>[OH-].[Na+].P(=O)(Cl)(Cl)Cl>ClC1=NC=2C=CC=C3CCCN1C23 | 3 |
[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:11][CH:12]=[CH:13][C:14]([O:16]CC)=[O:15].[OH-].[Na+]>CO>[CH3:1][O:2][C:3]1[C:8]([O:9][CH3:10])=[CH:7][CH:6]=[CH:5][C:4]=1[CH2:11][CH2:12][CH2:13][C:14]([OH:16])=[O:15] | 2 |
[CH2:1]([O:3][C:4]([N:6]1[CH2:10][CH2:9][C@H:8]([CH2:11][CH2:12][OH:13])[C@@H:7]1[C:14]([O:16][CH2:17][CH3:18])=[O:15])=[O:5])[CH3:2].C(N(C(C)C)CC)(C)C.[CH2:28]([O:35][CH2:36]Cl)[C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1>C(Cl)Cl>[CH2:1]([O:3][C:4]([N:6]1[CH2:10][CH2:9][C@H:8]([CH2:11][CH2:12][O:13][CH2:36][O:35][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C@@H:7]1[C:14]([O:16][CH2:17][CH3:18])=[O:15])=[O:5])[CH3:2] | 1 |
BrCC(=O)OC(C)(C)C.BrC=1C=C(C=O)C=CC1O>>C(C)(C)(C)OC(COC1=C(C=C(C=C1)C=O)Br)=O | 5 |
C(CC)N.C(C=C)(=O)OC(C)(C)C>>C(CC)NCCC(=O)OC(C)(C)C | 5 |
[N+](=O)([O-])C1=CC=C(C=C1)C1(CCC1)C(=O)OCC>O.C1CCCO1.CCO[H].[OH-].[Li+]>[N+](=O)([O-])C1=CC=C(C=C1)C1(CCC1)C(=O)O | 3 |
CO[C:3](=[O:13])[C:4]1[CH:9]=[C:8]([Br:10])[C:7]([O:11][CH3:12])=[N:6][CH:5]=1.Cl.[CH3:15][O:16][C:17]([C:19]1([NH2:28])[CH2:27][C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH2:20]1)=[O:18]>>[CH3:15][O:16][C:17]([C:19]1([NH:28][C:3]([C:4]2[CH:5]=[N:6][C:7]([O:11][CH3:12])=[C:8]([Br:10])[CH:9]=2)=[O:13])[CH2:27][C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[CH2:20]1)=[O:18] | 1 |
[NH:1]([CH2:6][C:7]([OH:9])=[O:8])[CH2:2][C:3]([OH:5])=[O:4].[CH2:10]([N:12]([CH2:15][CH3:16])[CH2:13][CH3:14])[CH3:11]>CS(C)=O>[CH2:10]([N:12]([CH2:15][CH3:16])[CH2:13][CH3:14])[CH3:11].[NH:1]([CH2:6][C:7]([OH:9])=[O:8])[CH2:2][C:3]([OH:5])=[O:4] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([C:8]2([CH2:22][CH2:23][N:24]3[C@H:29]4[CH2:30][CH2:31][C@@H:25]3[CH2:26][CH:27]([N:32]3[C:36]5[CH:37]=[CH:38][CH:39]=[CH:40][C:35]=5[N:34]=[C:33]3[CH3:41])[CH2:28]4)[CH2:13][CH2:12][N:11]([C:14](=[O:21])[CH:15]([NH2:20])[C:16]([CH3:19])([CH3:18])[CH3:17])[CH2:10][CH2:9]2)[CH:5]=[CH:6][CH:7]=1.[Cl:42][CH:43]([Cl:47])[C:44](Cl)=[O:45].CCN(C(C)C)C(C)C>>[Cl:42][CH:43]([Cl:47])[C:44]([NH:20][C@H:15]([C:14]([N:11]1[CH2:12][CH2:13][C:8]([C:4]2[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=2)([CH2:22][CH2:23][N:24]2[C@H:29]3[CH2:30][CH2:31][C@@H:25]2[CH2:26][CH:27]([N:32]2[C:36]4[CH:37]=[CH:38][CH:39]=[CH:40][C:35]=4[N:34]=[C:33]2[CH3:41])[CH2:28]3)[CH2:9][CH2:10]1)=[O:21])[C:16]([CH3:19])([CH3:18])[CH3:17])=[O:45] | 1 |
ClC1=CC=C(C=C1)S(=O)(=O)N[C@@H]1CN(CC1)C1=C(C(=NC=2N1N=CC2)C)C(C(=O)OCC)CCC>>ClC1=CC=C(C=C1)S(=O)(=O)N[C@@H]1CN(CC1)C1=C(C(=NC=2N1N=CC2)C)C(C(=O)O)CCC | 5 |
Cl.[F:2][C:3]1[CH:17]=[CH:16][C:6]2[C:7]([CH:10]3[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]3)=[N:8][O:9][C:5]=2[CH:4]=1.C([O-])([O-])=O.[K+].[K+].Cl[CH2:25][CH2:26][CH2:27][O:28][C:29]1[CH:34]=[CH:33][C:32]([C:35](=[O:37])[CH3:36])=[CH:31][C:30]=1[O:38][CH3:39].CN(C)C=O>C(O)C.O>[F:2][C:3]1[CH:17]=[CH:16][C:6]2[C:7]([CH:10]3[CH2:11][CH2:12][N:13]([CH2:25][CH2:26][CH2:27][O:28][C:29]4[CH:34]=[CH:33][C:32]([C:35](=[O:37])[CH3:36])=[CH:31][C:30]=4[O:38][CH3:39])[CH2:14][CH2:15]3)=[N:8][O:9][C:5]=2[CH:4]=1 | 1 |
[I:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([OH:12])[CH:6]=[C:5]2[OH:13].CC1NC(C)=C(C(OCC)=O)CC=1C(OCC)=O.[F:32][C:33]([F:43])([F:42])[C:34]1[CH:41]=[CH:40][C:37]([CH:38]=O)=[CH:36][CH:35]=1.C(O)C>N1C=CC=CC=1>[I:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([OH:12])[C:6]([CH2:38][C:37]1[CH:36]=[CH:35][C:34]([C:33]([F:32])([F:42])[F:43])=[CH:41][CH:40]=1)=[C:5]2[OH:13] | 1 |
FC1=CC=C(C=C1)N1N=C(C=C1C1=CC2=C(OCC(N2)=O)C=C1)C(C)O>ClCCl.[O-2].[O-2].[Mn+4]>C(C)(=O)C1=NN(C(=C1)C1=CC2=C(OCC(N2)=O)C=C1)C1=CC=C(C=C1)F | 3 |
[C:1]1([CH2:7][O:8][C:9](=[O:39])[N:10]([C@H:19]([C:21]2[N:30](COCC[Si](C)(C)C)[C:24]3=[N:25][CH:26]=[C:27](Br)[CH:28]=[C:23]3[N:22]=2)[CH3:20])COCC[Si](C)(C)C)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH2:40]([C@@H:42]1[CH2:51][C:50]2[N:49]=[C:48]([CH3:52])[N:47]=[C:46]([N:53]3[CH2:59][C:58]4[CH:60]=[C:61](B(O)O)[CH:62]=[CH:63][C:57]=4[O:56][CH2:55][CH2:54]3)[C:45]=2[CH2:44][CH2:43]1)[CH3:41]>>[C:1]1([CH2:7][O:8][C:9](=[O:39])[NH:10][C@H:19]([C:21]2[NH:22][C:23]3[C:24]([N:30]=2)=[N:25][CH:26]=[C:27]([C:61]2[CH:62]=[CH:63][C:57]4[O:56][CH2:55][CH2:54][N:53]([C:46]5[C:45]6[CH2:44][CH2:43][C@H:42]([CH2:40][CH3:41])[CH2:51][C:50]=6[N:49]=[C:48]([CH3:52])[N:47]=5)[CH2:59][C:58]=4[CH:60]=2)[CH:28]=3)[CH3:20])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
FC(C=1OC(=NN1)C1=CC(=C(C=C1)CN1N=NC(=C1)C=1C=C2CNCC2=CC1)F)F>ClCCl.C(C)(=O)O.C=O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].C(O)([O-])=O.[Na+]>FC(C=1OC(=NN1)C1=CC(=C(C=C1)CN1N=NC(=C1)C=1C=C2CN(CC2=CC1)C)F)F | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([NH2:7])=[O:6].ClC1C=C(C=CC=1)C(OO)=[O:16]>C(OCC)(=O)C>[N:1]([C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([NH2:7])=[O:6])=[O:16] | 1 |
ICCCCCCCC.C(C)OC(=O)CC=1C(=C2C=CNC2=C(C1C)NC(C(C)(C)C)=O)C>N(C)(C)C=O.[H-].[Na+]>C(CCCCCCC)N1C=CC2=C(C(=C(C(=C12)NC(C(C)(C)C)=O)C)CC(=O)OCC)C | 3 |
COC1=CC=C(C=C1)N=C=O.BrC1=CC=C(C=C1)[C@@H]1[C@@H]2CNC\C=C/CN2[C@@H]1COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>ClCCl.CCN(CC)CC>BrC1=CC=C(C=C1)[C@@H]1[C@@H]2CN(C\C=C/CN2[C@@H]1COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C(=O)NC1=CC=C(C=C1)OC | 3 |
F[C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:3]=1.[CH3:10][C:11]1[CH:16]=[C:15]([OH:17])[CH:14]=[C:13]([CH3:18])[N:12]=1.C([O-])([O-])=O.[K+].[K+]>CC(N(C)C)=O.C(OCC)(=O)C>[CH3:10][C:11]1[CH:16]=[C:15]([O:17][C:2]2[CH:9]=[CH:8][C:5]([CH:6]=[O:7])=[CH:4][CH:3]=2)[CH:14]=[C:13]([CH3:18])[N:12]=1 | 2 |
C(CC(C)C)N.BrC=1C=CC(=NC1)OC1=CC=C(C=O)C=C1>>BrC=1C=CC(=NC1)OC1=CC=C(CNCCC(C)C)C=C1 | 5 |
OCCCC=C.FC=1C=C(C(=O)O)C=C(C1)C(F)(F)F>>C(CCC=C)OC=1C=C(C(=O)O)C=C(C1)C(F)(F)F | 5 |
C[O:2][C:3]1[CH:4]=[CH:5][C:6]2[C:10]([C:11](=[O:23])[C:12]3[CH:17]=[CH:16][C:15]([CH:18]=[CH:19][C:20]([OH:22])=[O:21])=[CH:14][CH:13]=3)=[C:9]([C:24]3[CH:29]=[CH:28][C:27]([O:30]C)=[CH:26][CH:25]=3)[S:8][C:7]=2[CH:32]=1.B(Br)(Br)Br>C(Cl)Cl>[OH:2][C:3]1[CH:4]=[CH:5][C:6]2[C:10]([C:11](=[O:23])[C:12]3[CH:13]=[CH:14][C:15](/[CH:18]=[CH:19]/[C:20]([OH:22])=[O:21])=[CH:16][CH:17]=3)=[C:9]([C:24]3[CH:25]=[CH:26][C:27]([OH:30])=[CH:28][CH:29]=3)[S:8][C:7]=2[CH:32]=1 | 1 |
[F:1][C:2]([F:18])([F:17])[C:3](=[O:16])[CH2:4][C:5]([C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]([CH3:15])[CH:8]=1)=O.[CH3:19][NH:20][NH2:21]>C(O)C>[CH3:14][O:13][C:10]1[CH:11]=[CH:12][C:7]([C:5]2[CH2:4][C:3]([C:2]([F:18])([F:17])[F:1])([OH:16])[N:20]([CH3:19])[N:21]=2)=[CH:8][C:9]=1[CH3:15].[CH3:14][O:13][C:10]1[CH:11]=[CH:12][C:7]([C:5]2[N:20]([CH3:19])[N:21]=[C:3]([C:2]([F:18])([F:17])[F:1])[CH:4]=2)=[CH:8][C:9]=1[CH3:15] | 1 |
NC1=CC=CC=C1.C(C)(C)(C)C1=C(C=CC=C1)O>>C(C)(C)(C)C1=CC=CC=C1 | 5 |
Cl.Cl[CH2:3][CH2:4][N:5]1[CH2:9][CH2:8][CH2:7][CH2:6]1.[OH:10][C:11]1[CH:18]=[CH:17][C:14]([CH:15]=[O:16])=[CH:13][CH:12]=1>>[N:5]1([CH2:4][CH2:3][O:10][C:11]2[CH:18]=[CH:17][C:14]([CH:15]=[O:16])=[CH:13][CH:12]=2)[CH2:9][CH2:8][CH2:7][CH2:6]1 | 2 |
C(C1=CC=CC=C1)(=O)Cl.[Si](C)(C)(C(C)(C)C)O[C@H]1C[C@@H](O[C@]1(C=C)CO[Si](C)(C)C(C)(C)C)N1C(NC(C(=C1)F)=O)=O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)(=O)N1C(N(C=C(C1=O)F)[C@@H]1O[C@]([C@H](C1)O[Si](C)(C)C(C)(C)C)(C=C)CO[Si](C)(C)C(C)(C)C)=O | 3 |
ClC1=C(N=NC=C1Cl)O.FC(CC1=NC=CC=C1CN1CCNCC1)(F)F>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C.C>ClC=1C(NN=CC1N1CCN(CC1)CC=1C(=NC=CC1)CC(F)(F)F)=O | 3 |
[C:1]([N:4]1[CH2:9][CH2:8][N:7]([CH2:10][C:11]2[CH:16]=[C:15]([O:17][CH3:18])[N:14]=[C:13]([NH:19][C:20](=O)OC(C)(C)C)[CH:12]=2)[CH2:6][CH2:5]1)(=[O:3])[CH3:2].[H-].[Na+].ClC1[S:31][C:32]([C:35]#[N:36])=[CH:33][N:34]=1>Cl.O1CCOCC1.O.C([O-])(O)=O.[Na+]>[C:1]([N:4]1[CH2:5][CH2:6][N:7]([CH2:10][C:11]2[CH:16]=[C:15]([O:17][CH3:18])[N:14]=[C:13]([NH:19][C:20]3[S:31][C:32]([C:35]#[N:36])=[CH:33][N:34]=3)[CH:12]=2)[CH2:8][CH2:9]1)(=[O:3])[CH3:2] | 1 |
OC=1C=C(C=2N(C1)N=CC2C#N)C2=NC=C(N=C2)N2CC1N(C(C2)C1)CC=1C=NC(=CC1)OC.ClCCN1C2COCC1CC2>O.ClCCl.CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C12COCC(CC1)N2CCOC=2C=C(C=1N(C2)N=CC1C#N)C1=NC=C(N=C1)N1CC2N(C(C1)C2)CC=2C=NC(=CC2)OC | 3 |
[CH2:1]([C:3]1[C:8]([CH2:9]O)=[CH:7][CH:6]=[CH:5][N:4]=1)[CH3:2].S(Cl)([Cl:13])=O>C(Cl)Cl>[CH2:1]([C:3]1[C:8]([CH2:9][Cl:13])=[CH:7][CH:6]=[CH:5][N:4]=1)[CH3:2] | 1 |
C([O:5][C:6](=[O:19])[CH2:7][O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]#[N:16])=[CH:11][C:10]=1[C:17]#[CH:18])(C)(C)C.Br[C:21]1[CH:22]=[C:23]([S:28]([CH2:31][CH2:32][OH:33])(=[O:30])=[O:29])[CH:24]=[CH:25][C:26]=1[CH3:27]>>[C:15]([C:12]1[CH:13]=[CH:14][C:9]([O:8][CH2:7][C:6]([OH:5])=[O:19])=[C:10]([C:17]#[C:18][C:21]2[CH:22]=[C:23]([S:28]([CH2:31][CH2:32][OH:33])(=[O:30])=[O:29])[CH:24]=[CH:25][C:26]=2[CH3:27])[CH:11]=1)#[N:16] | 1 |
C(C)(C)(C)OC(=O)C1=CNC2=CC=C(C=C12)Cl>>C(C)(C)(C)OC(=O)C1=CN(C2=CC=C(C=C12)Cl)CC(=O)O | 5 |
ClC1=C(C(=O)Cl)C=CC=N1.BrC=1C=CC(=C(C1)N)[N+](=O)[O-]>C1CCCCC1.c1ccncc1.O1CCOCC1>BrC=1C=CC(=C(C1)NC(=O)C=1C(=NC=CC1)Cl)[N+](=O)[O-] | 3 |
[NH2:1][CH2:2][C:3]1[CH:10]=[CH:9][C:6]([C:7]#[N:8])=[CH:5][CH:4]=1.[OH2:11]>[Cu]>[NH2:8][CH2:7][C:6]1[CH:9]=[CH:10][C:3]([C:2]([NH2:1])=[O:11])=[CH:4][CH:5]=1 | 1 |
I[C:2]1[CH:3]=[N:4][CH:5]=[CH:6][CH:7]=1.[CH2:8]([OH:12])[CH2:9][C:10]#[CH:11].O.O.O.O.O.O.O.O.O.O.O.O.[O-]P([O-])([O-])=O.[Na+].[Na+].[Na+].CC(O)C.O>CCOC(C)=O.O.[Pd]>[N:4]1[CH:5]=[CH:6][CH:7]=[C:2]([C:11]#[C:10][CH2:9][CH2:8][OH:12])[CH:3]=1 | 2 |
FC(F)(F)C([NH:5][C:6]1[N:7]=[C:8]2[CH:13]=[CH:12][C:11]([C:14](=[O:21])[C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)=[CH:10][N:9]2[C:22]=1[C:23]1[CH:28]=[CH:27][C:26]([Cl:29])=[CH:25][CH:24]=1)=O>CC(=O)OCC>[NH2:5][C:6]1[N:7]=[C:8]2[CH:13]=[CH:12][C:11]([C:14](=[O:21])[C:15]3[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=3)=[CH:10][N:9]2[C:22]=1[C:23]1[CH:24]=[CH:25][C:26]([Cl:29])=[CH:27][CH:28]=1 | 1 |
ClC1=NC=CC(=N1)NC1=C(C=CC(=C1)C)C.Cl.CN(C)CC(COC1=CC=C(N)C=C1)O>CO[H].N.C(CCC)O>CN(C)CC(COC1=CC=C(NC2=NC=CC(=N2)NC2=C(C=CC(=C2)C)C)C=C1)O | 3 |
ClC=1C(=NC=CC1)NN.CC1(OC/C(/O1)=C\C(C(=O)OCC)=O)C>CCO[H]>ClC=1C(=NC=CC1)N1N=C(CC1(C(=O)OCC)O)CO | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=1[O:10][CH3:11].[C:12]([O:16][C:17]([N:19]1[CH2:25][CH2:24][CH2:23][NH:22][CH2:21][CH2:20]1)=[O:18])([CH3:15])([CH3:14])[CH3:13].CC([O-])(C)C.[K+]>COCCOC>[C:12]([O:16][C:17]([N:19]1[CH2:25][CH2:24][CH2:23][N:22]([C:2]2[CH:7]=[CH:6][C:5]([O:8][CH3:9])=[CH:4][C:3]=2[O:10][CH3:11])[CH2:21][CH2:20]1)=[O:18])([CH3:15])([CH3:13])[CH3:14] | 1 |
C(C)(C)(C)C1=CC=C(C=O)C=C1.C(C1=CC=CC=C1)N1CCN(CC1)C=1SCC(N1)=O>>C(C1=CC=CC=C1)N1CCN(CC1)C=1SC(C(N1)=O)=CC1=CC=C(C=C1)C(C)(C)C | 5 |
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