smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(=O)N1C(NCC1)=O.C(C)C1=C(N)C(=CC=C1C)CC>P(=O)(Cl)(Cl)Cl>C(C)C1=C(NC=2NCCN2)C(=CC=C1C)CC | 3 |
[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9](Cl)=[O:10])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH2:14]([NH2:16])[CH3:15]>>[C:1]([C:5]1[CH:13]=[CH:12][C:8]([C:9]([NH:16][CH2:14][CH3:15])=[O:10])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2] | 1 |
[Br-].C[Mg+].NC=1N=C(C2=C(N1)SC(=C2)C(=O)OCC)C2=C(C=C(C1=C2CCO1)Cl)Cl>C1CCCO1.[Cl-].[NH4+]>NC=1N=C(C2=C(N1)SC(=C2)C(C)(C)O)C2=C(C=C(C1=C2CCO1)Cl)Cl | 3 |
C1(=CC=CC=C1)C#C.CON(C(C1=CC=CC=C1)=O)C>C1CCCO1.C1CCCCC1.C(C)(C)[N-]C(C)C.[Li+]>C1(=CC=CC=C1)C(C#CC1=CC=CC=C1)=O | 3 |
C(C)=O.C(OC)(OC)OC.Cl.C(C1=CC=CC=C1)OC([C@@H](N)C)=O>ClCCl.[Na+].[BH4-].C(C)(C)N(C(C)C)CC>Cl.C(C1=CC=CC=C1)OC([C@H](C)NCC)=O | 3 |
ClC1=NN=C(C=2C=C3C(=CC12)C=CC=C3)Cl>CC#N.C([O-])([O-])=O.[K+].[K+].CNC>ClC=1N=NC(=C2C=C3C(=CC12)C=CC=C3)N(C)C | 3 |
CC(C=O)C.C(#N)CC(=O)N1CC(C1)CN1C(=NC2=C1C=CC=C2)NC(=O)C=2SC(=CC2)C=2C=NNC2>CO[H].ClCCl.N1CCCCC1>C(#N)C(C(=O)N1CC(C1)CN1C(=NC2=C1C=CC=C2)NC(=O)C=2SC(=CC2)C=2C=NNC2)=CC(C)C | 3 |
CI.C1(=CC=CC=C1)C(CC(=O)O)CC(=O)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C1(=CC=CC=C1)C(CC(=O)OC)CC(=O)OC | 3 |
CN.FC(CN=C(NC1=NC(=NC=C1)SCCCCNC(SC)=NC#N)N)(F)F>CCO[H]>FC(CN=C(NC1=NC(=NC=C1)SCCCCNC(=NC#N)NC)N)(F)F | 3 |
[Si](C)(C)(C(C)(C)C)O[C@H]([C@H](C=1OC(=NN1)C)NC1=C(C(=C(C#N)C=C1)Cl)C)C>>ClC1=C(C#N)C=CC(=C1C)N[C@H]([C@H](C)O)C=1OC(=NN1)C | 5 |
COC(COC1=CC=C(C=C1)CN(C(\C=C\C1=CC=CC=C1)=O)CC=1N=C(SC1)C1=CC=C(C=C1)C(=O)NCC1=CC=C(C=C1)CCCCC)=O>>C(CCCC)C1=CC=C(CNC(=O)C2=CC=C(C=C2)C=2SC=C(N2)CN(C(\C=C\C2=CC=CC=C2)=O)CC2=CC=C(OCC(=O)O)C=C2)C=C1 | 5 |
OB(C1=CC=CC=C1)O.C(C)(C)(C)C1=CC=C(C(=O)NC=2N=C3N(N=C(C=C3)Cl)C2)C=C1>>C(C)(C)(C)C1=CC=C(C(=O)NC=2N=C3N(N=C(C=C3)C3=CC=CC=C3)C2)C=C1 | 5 |
[Si](C)(C)(C(C)(C)C)OC[C@H](C(C)C)N1C=C(C(C2=CC(=C(C=C12)OC)NCC1=CC=C(C=C1)F)=O)C(=O)OCC>>FC1=CC=C(CNC=2C=C3C(C(=CN(C3=CC2OC)[C@H](CO)C(C)C)C(=O)O)=O)C=C1 | 5 |
N1N=CC=C1.CC(CC)(C)C1=NC2=C(N1CC1CCOCC1)C=CC(=C2)S(=O)(=O)Cl>CC#N.C1(=CC=NC=C1)N(C)C>CC(CC)(C)C1=NC2=C(N1CC1CCOCC1)C=CC(=C2)S(=O)(=O)N2N=CC=C2 | 3 |
Cl.C(C)(C)(C)OC(=O)NC1CCNCC1.C(#N)C1=CC=C(C=C1)C1=CN=C2N1C=C(N=C2)C2=CC(=C(C(=O)O)C=C2)C>N(C)(C)C=O.O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(#N)C1=CC=C(C=C1)C1=CN=C2N1C=C(N=C2)C2=CC(=C(C(=O)N1CCC(CC1)NC(OC(C)(C)C)=O)C=C2)C | 3 |
C[O:2][C:3]([C:5]1[CH:9]=[C:8]([C:10]2[CH:11]=[N:12][N:13]([CH3:15])[CH:14]=2)[N:7]([C:16]2[N:17]=[N:18][C:19](Cl)=[CH:20][CH:21]=2)[N:6]=1)=[O:4].[CH3:23][O-:24].[Na+].O.Cl>CO>[CH3:23][O:24][C:19]1[N:18]=[N:17][C:16]([N:7]2[C:8]([C:10]3[CH:11]=[N:12][N:13]([CH3:15])[CH:14]=3)=[CH:9][C:5]([C:3]([OH:2])=[O:4])=[N:6]2)=[CH:21][CH:20]=1 | 2 |
[CH3:1][NH:2][S:3]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[N+:12]([O-])=O)(=[O:5])=[O:4]>[Pd].C(O)C>[NH2:12][C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][C:6]=1[S:3]([NH:2][CH3:1])(=[O:5])=[O:4] | 1 |
P(Cl)(Cl)([Cl:3])=O.[C:6]([NH:9][C:10]1[NH:11][C:12](=O)[C:13]2[S:18][C:17](=[O:19])[N:16]([C@@H:20]3[O:32][C@H:31]([CH2:33][O:34][C:35](=[O:37])[CH3:36])[C@@H:26]([O:27][C:28](=[O:30])[CH3:29])[C@H:21]3[O:22][C:23](=[O:25])[CH3:24])[C:14]=2[N:15]=1)(=[O:8])[CH3:7].C(N(CC)CC)C.C([O-])(O)=O.[Na+]>C(Cl)(Cl)Cl>[C:6]([NH:9][C:10]1[N:11]=[C:12]([Cl:3])[C:13]2[S:18][C:17](=[O:19])[N:16]([C@@H:20]3[O:32][C@H:31]([CH2:33][O:34][C:35](=[O:37])[CH3:36])[C@@H:26]([O:27][C:28](=[O:30])[CH3:29])[C@H:21]3[O:22][C:23](=[O:25])[CH3:24])[C:14]=2[N:15]=1)(=[O:8])[CH3:7] | 1 |
Br[CH2:2][C:3]([C:5]1[C:13]2[C:8](=[N:9][CH:10]=[C:11]([Br:14])[CH:12]=2)[NH:7][CH:6]=1)=O.[NH2:15][C:16]([NH2:18])=[S:17]>C(O)C>[Br:14][C:11]1[CH:12]=[C:13]2[C:5]([C:3]3[S:17][C:16]([NH2:18])=[N:15][CH:2]=3)=[CH:6][NH:7][C:8]2=[N:9][CH:10]=1 | 1 |
[CH3:1][NH:2][CH2:3][C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[O:13][C:14]1[CH:19]=[CH:18][C:17]([S:20][CH3:21])=[C:16]([C:22]([F:25])([F:24])[F:23])[CH:15]=1)[C:7]([NH2:9])=[O:8].C=O.[C:28](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl.O.N>[CH3:1][N:2]([CH2:3][C:4]1[CH:5]=[C:6]([CH:10]=[CH:11][C:12]=1[O:13][C:14]1[CH:19]=[CH:18][C:17]([S:20][CH3:21])=[C:16]([C:22]([F:25])([F:24])[F:23])[CH:15]=1)[C:7]([NH2:9])=[O:8])[CH3:28] | 1 |
[C:1]([O:4][C@H:5]1[C@@H:31]2[O:32][C@@H:30]2[C@@:29]2([CH3:33])[C:7](=[CH:8][C@@H:9](OC(=O)NC)[C@@H:10]3[C@@H:28]2[CH2:27][CH2:26][C@@:25]2([CH3:34])[C@H:11]3[CH2:12][CH2:13][C@@H:14]2[CH:15]([CH:17]2[O:22][CH2:21][C:20]([CH3:24])([CH3:23])[CH2:19][O:18]2)[CH3:16])[CH2:6]1)(=[O:3])[CH3:2].C(O[C@H]1[C@@H]2O[C@@H]2[C@@]2(C)C(=C[C@@H](OC(OC)=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2C(C2OCC(C)(C)CO2)C)C1)(=O)C>>[C:1]([O:4][C@H:5]1[C@@H:31]2[O:32][C@@H:30]2[C@@:29]2([CH3:33])[C:7](=[CH:8][CH:9]=[C:10]3[C@@H:28]2[CH2:27][CH2:26][C@@:25]2([CH3:34])[C@H:11]3[CH2:12][CH2:13][C@@H:14]2[CH:15]([CH:17]2[O:18][CH2:19][C:20]([CH3:24])([CH3:23])[CH2:21][O:22]2)[CH3:16])[CH2:6]1)(=[O:3])[CH3:2] | 1 |
CC1=CC(=C(C#N)C=C1)NC1=C(C=CC=C1)[N+](=O)[O-]>CCO[H].Cl.O.O.[Sn](Cl)Cl>Cl.CC=1C=CC2=C(NC3=C(N=C2N)C=CC=C3)C1 | 3 |
ClC1=CC2=C(N(C(C(N=C2N2CCC3(OCCO3)CC2)CC2=CC3=CC=CC=C3C=C2)=O)CC2=CC=C(C=C2)OC)C=C1>Cl.O1CCOCC1>ClC1=CC2=C(NC(C(N=C2N2CCC(CC2)=O)CC2=CC3=CC=CC=C3C=C2)=O)C=C1 | 3 |
COC1=CC=C(C[Mg]Cl)C=C1.C(#CCCCC)C1=C(C(=O)N(OC)C)C=CC=C1>C1CCCO1>C(#CCCCC)C1=C(C=CC=C1)C(CC1=CC=C(C=C1)OC)=O | 3 |
ClC=1N=NC(=CC1)Cl.OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)C)C(C)(C)C)C=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(N=N1)OC1=C(CNC(=O)NC2=CC(=NN2C2=CC=C(C=C2)C)C(C)(C)C)C=CC=C1 | 3 |
[OH:1][CH2:2][C:3]1[C:4]([NH:9][C:10]2[CH:18]=[CH:17][C:13]3=[N:14][S:15][N:16]=[C:12]3[CH:11]=2)=[N:5][CH:6]=[CH:7][CH:8]=1>C(Cl)(Cl)Cl.[O-2].[O-2].[Mn+4]>[N:14]1[S:15][N:16]=[C:12]2[CH:11]=[C:10]([NH:9][C:4]3[N:5]=[CH:6][CH:7]=[CH:8][C:3]=3[CH:2]=[O:1])[CH:18]=[CH:17][C:13]=12 | 2 |
ClC=1C(=NC(=CC1Cl)C1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)OC>>ClC=1C(=NC(=CC1F)C1=C(C=C(C=C1)C(F)(F)F)Cl)C(=O)OC | 5 |
C1(CCC1)=O.C(OC)(OC)OC.Cl.Cl.N[C@H]1[C@@H](C1)C=1C=C(SC1C)C(=O)NC=1C=NN(C1)C>CO[H].[Na+].[BH4-].CCN(CC)CC>C1(CCC1)N[C@H]1[C@@H](C1)C=1C=C(SC1C)C(=O)NC=1C=NN(C1)C | 3 |
[C-]#N.[Zn+2].[C-]#N.CC1=NC(=CC(=N1)Cl)Cl.C(C)(C)(C)P(C1C(C2=CC=CC=C2C=C1)C1=CC=CC2=CC=CC=C12)C(C)(C)C>[Zn].CN(C(C)=O)C.FC(C(=O)O[Pd]OC(C(F)(F)F)=O)(F)F>ClC1=CC(=NC(=N1)C)C#N | 3 |
O=[C:2]([CH2:8][C:9](=O)[CH2:10][CH3:11])[C:3]([O:5][CH2:6][CH3:7])=[O:4].C(O)(=O)C(O)=O.[CH2:19]([NH:23][NH2:24])[CH2:20][CH2:21][CH3:22]>C(O)(=O)C>[CH2:10]([C:9]1[N:23]([CH2:19][CH2:20][CH2:21][CH3:22])[N:24]=[C:2]([C:3]([O:5][CH2:6][CH3:7])=[O:4])[CH:8]=1)[CH3:11] | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[C:7]([N+:9]([O-])=O)[CH:6]=[CH:5][C:4]=1[S:12]([CH2:15][CH2:16][CH2:17][N:18]1[CH2:23][CH2:22][O:21][CH2:20][CH2:19]1)(=[O:14])=[O:13]>C(O)C.[Pd]>[CH3:1][O:2][C:3]1[CH:8]=[C:7]([CH:6]=[CH:5][C:4]=1[S:12]([CH2:15][CH2:16][CH2:17][N:18]1[CH2:19][CH2:20][O:21][CH2:22][CH2:23]1)(=[O:14])=[O:13])[NH2:9] | 2 |
C(CCC)OCCOC1=CC=C(C=C1)C=1C=C(C(=NC1)N1CC(CC1)C)/C=C(/C(=O)O)\C.C(CC)N1C(=NN=C1)CSC1=CC=C(N)C=C1>>C(CCC)OCCOC1=CC=C(C=C1)C=1C=C(C(=NC1)N1CC(CC1)C)/C=C(/C(=O)NC1=CC=C(C=C1)SCC1=NN=CN1CCC)\C | 5 |
COCCCO.BrC=1C=C(C=CC1F)N1C(=NOC1=O)C=1C(=NON1)NC(C(F)(F)F)=O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>BrC=1C=C(C=CC1F)N1C(=NOC1=O)C1=NON=C1NCCCOC | 3 |
[Br-].C1(=CC=CC=C1)[Mg+].C(=O)C=1C=C(C(=O)OC(C)(C)C)C=C(N1)C(NC)=O>C1CCCO1.[Cl-].[NH4+]>OC(C=1C=C(C(=O)OC(C)(C)C)C=C(N1)C(NC)=O)C1=CC=CC=C1 | 3 |
C(C)(C)(C)OC(NC=1SC=C(N1)SCC)=O>>C(C)SC=1N=C(SC1)N | 5 |
C[Si](C)(C)C#C.C(C)C=1N(N=C2C1N=C(NC2=O)C=2C(=NC=C(C2)I)OCCC)C2CN(C2)C(=O)OC(C)(C)C>>C(C)C=1N(N=C2C1N=C(NC2=O)C=2C(=NC=C(C2)C#C[Si](C)(C)C)OCCC)C2CN(C2)C(=O)OC(C)(C)C | 5 |
ClC=1C=C(C(=O)Cl)C=CC1Cl.NC1=CC=C(OC2=CC=C(C=C2)CCC(=O)OCC)C=C1>>ClC=1C=C(C(=O)NC2=CC=C(OC3=CC=C(C=C3)CCC(=O)OCC)C=C2)C=CC1Cl | 5 |
ClCC(=O)N1[C@@H](CC(C1)(F)F)C#N.[N+](=O)([O-])C=1C=C(CNC23CC4(CC(CC(C2)C4)C3)N)C=CC1>CC#N.CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C>Cl.Cl.Cl.FC1(C[C@H](N(C1)C(CNC12CC3(CC(CC(C1)C3)C2)NCC2=CC(=CC=C2)[N+](=O)[O-])=O)C#N)F | 3 |
[O:1]=[C:2]1[CH2:7][CH2:6][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:4][CH2:3]1.[O-]CC.[Na+].O.[N+:20]([CH3:23])([O-:22])=[O:21]>C(O)C>[OH:1][C:2]1([CH2:23][N+:20]([O-:22])=[O:21])[CH2:3][CH2:4][N:5]([C:8]([O:10][C:11]([CH3:14])([CH3:13])[CH3:12])=[O:9])[CH2:6][CH2:7]1 | 1 |
ClC1=NC(=C(C=C1C#N)F)Cl.NC(CC(=O)OCC)C(CC)(C)C>>ClC1=C(C=C(C(=N1)NC(CC(=O)OCC)C(CC)(C)C)F)C#N | 5 |
[C:1]1([CH3:20])[CH:6]=[CH:5][C:4]([CH:7]=[C:8]([C:18]#[N:19])[S:9]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)(=[O:11])=[O:10])=[CH:3][CH:2]=1.[CH:21](=O)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C(O)C>CN(C)C=O>[C:1]1([CH:20]=[CH:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:2]=[CH:3][C:4]([CH:7]=[C:8]([C:18]#[N:19])[S:9]([C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=2)(=[O:11])=[O:10])=[CH:5][CH:6]=1 | 1 |
FC(C=1N=CC2=C(N1)CN(C2)[C@H]2CC[C@@H]([C@H](C2)NC(OCC2=CC=CC=C2)=O)C2=C(C=C(C(=C2)F)F)F)(F)F>O1CCOCC1.ClC=1C(C(=C(C(C1Cl)=O)C#N)C#N)=O>FC(C=1N=CC=2C(N1)=CN(C2)[C@H]2CC[C@@H]([C@H](C2)N)C2=C(C=C(C(=C2)F)F)F)(F)F | 3 |
FC=1C=C(C=CC1)C1(CCN(CC1)C(C(=O)OCC1=CC=CC=C1)C)CCN1[C@H]2CC(C[C@@H]1CC2)N2C(=NC1=C2C=CC=C1)C>>FC=1C=C(C=CC1)C1(CCN(CC1)C(C(=O)O)C)CCN1[C@H]2CC(C[C@@H]1CC2)N2C(=NC1=C2C=CC=C1)C | 5 |
ClC1=NN=C(C2=CC(=CC=C12)C#N)NCC1=CC(=C(C=C1)OC)Cl.Cl.N1CCC(CC1)C#N>>Cl.ClC=1C=C(CNC2=NN=C(C3=CC=C(C=C23)C#N)N2CCC(CC2)C#N)C=CC1OC | 5 |
BrC=1C=C(C=C2C=NC=NC12)C>CCN(CC)CC.CC(C)O.C(=C)[B-](F)(F)F.[K+]>CC=1C=C2C=NC=NC2=C(C1)C=C | 3 |
FC1=CC=C(C=C1)C1(CCCCC1)COCC(=O)OC(C)(C)C>C(=O)(C(F)(F)F)O>FC1=CC=C(C=C1)C1(CCCCC1)COCC(=O)O | 3 |
C(C)OC1CC2OC=3C=C(C(=CC3C(C2CO1)=O)OC)F>>FC=1C(=CC=2C(C3C(OC2C1)CCOC3)=O)OC | 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-].[Li+].[Li+].Cl[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][OH:31].O>CN(C=O)C>[OH:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][N:13]1[CH2:12][CH2:11][CH:10]([C:7]2[C:6]3[CH:16]=[CH:17][C:3]([F:2])=[CH:4][C:5]=3[O:9][N:8]=2)[CH2:15][CH2:14]1 | 1 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH2:9][C:10]#[N:11])[CH:5]=[CH:6][C:7]=1[Cl:8].[H-].[Na+].CO[C:16]1[C:21]([CH3:22])=[CH:20][C:19]([N+:23]([O-:25])=[O:24])=[CH:18][C:17]=1[CH3:26].Cl>CN(C=O)C.O>[Cl:1][C:2]1[CH:3]=[C:4]([CH:9]([C:16]2[C:17]([CH3:26])=[CH:18][C:19]([N+:23]([O-:25])=[O:24])=[CH:20][C:21]=2[CH3:22])[C:10]#[N:11])[CH:5]=[CH:6][C:7]=1[Cl:8] | 1 |
COC(=NS(=O)(=O)C)C1=CC=CC=C1.O1C(=NC2=C1C=CC=C2)C(C(CC)NC(C(CC2CCCCC2)N)=O)O>>O1C(=NC2=C1C=CC=C2)C(C(CC)NC(C(CC2CCCCC2)NC(C2=CC=CC=C2)=NS(=O)(=O)C)=O)O | 5 |
C(CCCCCCCCCCCCCCCCC)(=O)Cl.OC(CCCCCCCCCCC(=O)OCC)CCCCCC>c1ccncc1.O(C(C)(C)C)C>C(CCCCCCCCCCCCCCCCC)(=O)OC(CCCCCCCCCCC(=O)OCC)CCCCCC | 3 |
[Cl:1][C:2]1[N:6]([CH2:7][C:8]([O:10]C(C)(C)C)=[O:9])[N:5]=[C:4]2[C:15](=O)[C@@H:16]3[CH2:18][C@@H:17]3[C:3]=12.[CH2:20]([SH:23])[CH2:21][SH:22].C(O)(=O)C.B(F)(F)F.CCOCC>ClCCl>[Cl:1][C:2]1[N:6]([CH2:7][C:8]([OH:10])=[O:9])[N:5]=[C:4]2[C:15]3([C@@H:16]4[CH2:18][C@@H:17]4[C:3]=12)[S:23][CH2:20][CH2:21][S:22]3 | 2 |
[C:1]1([C:7]2(CC(O)=O)[O:11][C:10]3[CH:12]=[CH:13][C:14]([Cl:16])=[CH:15][C:9]=3[O:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.O=S(Cl)Cl>C1C=CC=CC=1>[CH2:9]([O:8][C:7](=[O:11])[CH2:1][CH2:2][C:7]1([C:1]2[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=2)[O:11][C:10]2[CH:12]=[CH:13][C:14]([Cl:16])=[CH:15][C:9]=2[O:8]1)[CH3:10] | 1 |
[C:1]([O:5][C:6]([N:8]1[C@@H:12]([CH2:13][C:14]([CH3:34])([CH3:33])[CH2:15][C:16]([N:18]2[C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[CH2:21][CH:20]([NH:28][C:29]([O:31][CH3:32])=[O:30])[CH2:19]2)=[O:17])[CH2:11][O:10]C1(C)C)=[O:7])([CH3:4])([CH3:3])[CH3:2].O.C1(C)C=CC(S(O)(=O)=O)=CC=1>C(Cl)Cl>[CH3:32][O:31][C:29](=[O:30])[NH:28][CH:20]1[CH2:21][C:22]2[C:27](=[CH:26][CH:25]=[CH:24][CH:23]=2)[N:18]([C:16](=[O:17])[CH2:15][C:14]([CH3:34])([CH3:33])[CH2:13][C@H:12]([NH:8][C:6]([O:5][C:1]([CH3:2])([CH3:4])[CH3:3])=[O:7])[CH2:11][OH:10])[CH2:19]1 | 1 |
C(CCC)OC=1C=CC(=NC1)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>C(CCC)OC=1C=CC(=[N+](C1)[O-])C | 3 |
[Si:1]([O:18][CH2:19][C@H:20]([N:25]1[CH2:28][C:27]2([CH2:32][CH2:31][CH2:30][N:29]2[C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[C:26]1=[O:40])[C:21]([O:23]C)=O)([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.[NH3:41]>CO>[NH2:41][C:21](=[O:23])[C@@H:20]([N:25]1[CH2:28][C:27]2([CH2:32][CH2:31][CH2:30][N:29]2[C:33]([O:35][C:36]([CH3:38])([CH3:39])[CH3:37])=[O:34])[C:26]1=[O:40])[CH2:19][O:18][Si:1]([C:14]([CH3:16])([CH3:17])[CH3:15])([C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 2 |
[C:1]([NH:8][C@@H:9]([CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[C@@H:10]([OH:29])[CH2:11][C@@H:12]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[C:19]([O:25][CH3:26])[C:18]=1[O:27][CH3:28])[C:13]([OH:15])=[O:14])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].N1C=CN=C1.[C:42]([Si:46]([CH3:49])([CH3:48])Cl)([CH3:45])([CH3:44])[CH3:43]>CN(C=O)C>[C:1]([NH:8][C@@H:9]([CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[C@@H:10]([O:29][Si:46]([C:42]([CH3:45])([CH3:44])[CH3:43])([CH3:49])[CH3:48])[CH2:11][C@@H:12]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[C:19]([O:25][CH3:26])[C:18]=1[O:27][CH3:28])[C:13]([OH:15])=[O:14])([O:3][C:4]([CH3:6])([CH3:7])[CH3:5])=[O:2] | 1 |
BrCCC1=CNC2=CC=CC=C12.N1CCCC2=CC=CC=C12>C(Cl)(Cl)(Cl)[H]>N1C=C(C2=CC=CC=C12)CCN1CCCC2=CC=CC=C12 | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[N:9]=[N:8][NH:7][C:6]=2[CH:10]=1.[OH-].[Na+].[Cl:13][CH2:14][CH2:15][CH2:16][CH2:17]Br>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC>[Cl:13][CH2:14][CH2:15][CH2:16][CH2:17][N:7]1[C:6]2[CH:10]=[C:2]([F:1])[CH:3]=[CH:4][C:5]=2[N:9]=[N:8]1 | 1 |
[I-].[Cs+].NC1=NC=2C3=C(CCC2C=N1)C(=NN3C)C(=O)N[C@H](CN3CCOCC3)C3=CC=CC=C3>>IC1=NC=2C3=C(CCC2C=N1)C(=NN3C)C(=O)N[C@H](CN3CCOCC3)C3=CC=CC=C3 | 5 |
BrC1=C(C=CC=C1)CC.C(CC(C)C)[Si](OC)(OC)OC.C(CC(C)C)[Mg]Br.CO[Si](OC)(OC)OC>>C(C)C1=C(C=CC=C1)[Si](OC)(OC)CCC(C)C | 5 |
C(=C)[B-](F)(F)F.[K+].BrC=1C=CC(=C(C1)N)I>[Pd].CN1C(CCC1)=O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>BrC=1C=CC(=C(N)C1)C=C | 3 |
CC(CNC(OC(C)(C)C)=O)(CCC(C1=CC=CC=C1)=O)C>CO[H].C(=O)(C(F)(F)F)O.[Na+].[BH4-].[OH-].[Na+]>CC1(CCC(NC1)C1=CC=CC=C1)C | 3 |
[Cl:1][C:2]1[C:3]([N:9]2[CH:13]=[C:12]([CH2:14][CH2:15][CH2:16][OH:17])[C:11]([CH:18]([CH3:20])[CH3:19])=[N:10]2)=[N:4][CH:5]=[C:6]([Cl:8])[CH:7]=1.O[C:22]1[C:27]([O:28][CH3:29])=[CH:26][CH:25]=[CH:24][C:23]=1[CH2:30][C:31]([O:33]C)=[O:32].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O>O1CCCC1>[Cl:1][C:2]1[C:3]([N:9]2[CH:13]=[C:12]([CH2:14][CH2:15][CH2:16][O:17][C:22]3[C:27]([O:28][CH3:29])=[CH:26][CH:25]=[CH:24][C:23]=3[CH2:30][C:31]([OH:33])=[O:32])[C:11]([CH:18]([CH3:20])[CH3:19])=[N:10]2)=[N:4][CH:5]=[C:6]([Cl:8])[CH:7]=1 | 2 |
C1(OCCO1)=O.NC1CCN(CC1)CC=1C=CN2N=CN=C(C21)NC=2C=C1C=NN(C1=CC2)CC2=CC(=CC=C2)F>ClCCl>FC=1C=C(CN2N=CC3=CC(=CC=C23)NC2=NC=NN3C2=C(C=C3)CN3CCC(CC3)NCCO)C=CC1 | 3 |
C(C)(C)(C)O[C@H](C(=O)OC)C1=C2N3CCC(OCCCC[C@@H](OC=4C=CC(=CC4C4=CC=CC(C5=NN2C(N=C1C)=C5)=C4)C(F)(F)F)C)(CC3)C>>C(C)(C)(C)O[C@H](C(=O)O)C1=C2N3CCC(OCCCC[C@@H](OC=4C=CC(=CC4C4=CC=CC(C5=NN2C(N=C1C)=C5)=C4)C(F)(F)F)C)(CC3)C | 5 |
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C@@:9]([OH:40])([CH2:32][Si](OC(C)C)(C)C)[C@H:10]([N:12]1[C:16](=[O:17])[N:15]([C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([F:31])([F:30])[CH:27]([F:29])[F:28])=[CH:20][CH:19]=2)[CH:14]=[N:13]1)[CH3:11].C(=O)([O-])[OH:42].[Na+]>CO.O1CCCC1.OO>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C@@:9]([OH:40])([CH2:32][OH:42])[C@H:10]([N:12]1[C:16](=[O:17])[N:15]([C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([F:31])([F:30])[CH:27]([F:29])[F:28])=[CH:20][CH:19]=2)[CH:14]=[N:13]1)[CH3:11] | 1 |
C12(CC3CC(CC(C1)C3)C2)C(=O)OCCC(CO)(C)C>C(C)OCC.c1ccncc1.S(=O)(=O)(Cl)Cl>C12(CC3CC(CC(C1)C3)C2)C(=O)OCCC(COS(=O)(=O)Cl)(C)C | 3 |
BrCC(=O)C1=CC=C(C=C1)Cl>ClCCl.CNC>CN(CC(=O)C1=CC=C(C=C1)Cl)C | 3 |
[SH:1][CH2:2][CH2:3][OH:4].Br[CH2:6][C:7]([C:9]1[CH:14]=[C:13]([O:15][CH3:16])[C:12]([O:17][CH3:18])=[C:11]([O:19][CH3:20])[CH:10]=1)=[O:8]>>[OH:4][CH2:3][CH2:2][S:1][CH2:6][C:7]([C:9]1[CH:10]=[C:11]([O:19][CH3:20])[C:12]([O:17][CH3:18])=[C:13]([O:15][CH3:16])[CH:14]=1)=[O:8] | 1 |
ClC(=O)OC1=CC=CC=C1.ClC=1C=C(C=NC1C)N>CC#N.O.c1ccncc1.C(C)(=O)OCC>ClC=1C=C(C=NC1C)NC(OC1=CC=CC=C1)=O | 3 |
[Cl:1][C:2]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:3]=1[O:4][CH2:5][CH2:6][NH:7][C:8]1[CH:18]=[CH:17][C:11]([C:12]([O:14]CC)=[O:13])=[CH:10][CH:9]=1.[OH-].[K+].C(O)C.Cl>O>[Cl:1][C:2]1[CH:22]=[C:21]([Cl:23])[CH:20]=[CH:19][C:3]=1[O:4][CH2:5][CH2:6][NH:7][C:8]1[CH:18]=[CH:17][C:11]([C:12]([OH:14])=[O:13])=[CH:10][CH:9]=1 | 1 |
CNC=1C(=CC=CC1)N.C(C(C)(C)C)(=O)NC1=C(C=C(C=C1)C=O)C>CO[H]>C(C(C)(C)C)(=O)NC1=C(C=C(C=C1)C1=NC2=C(N1C)C=CC=C2)C | 3 |
CO[C:3]([C:5]1[CH2:6][N:7]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:8][CH2:9][C:10]=1[OH:11])=[O:4].[CH:19]1([NH:22][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[C:25]=2[CH3:31])[CH2:21][CH2:20]1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.CCOC(C)=O>C1(C)C=CC=CC=1>[C:15]([O:14][C:12]([N:7]1[CH2:8][CH2:9][C:10](=[O:11])[CH:5]([C:3](=[O:4])[N:22]([CH:19]2[CH2:21][CH2:20]2)[CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[C:26]([CH3:30])[C:25]=2[CH3:31])[CH2:6]1)=[O:13])([CH3:16])([CH3:17])[CH3:18] | 2 |
C(C1=CC=CC=C1)N1C(C(OCC1(C)CO[Si](C)(C)C(C)(C)C)(C)C)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)N1C(C(OCC1(C)CO)(C)C)=O | 3 |
ClC(=O)OC.C1(CCCC1)C=1C=C(C=CC1O)CCC(=O)OCC>ClCCl.CCN(CC)CC>C1(CCCC1)C=1C=C(C=CC1OC(=O)OC)CCC(=O)OCC | 3 |
[CH:1](=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[N:4][CH:3]=1.[OH:9]/[C:10](=[CH:16]\[C:17](=O)[C:18]1[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=1)/[C:11]([O:13]CC)=O.[NH2:25][CH2:26][CH2:27][C:28]1[C:36]2[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=2)[NH:30][CH:29]=1>>[NH:30]1[C:31]2[C:36](=[CH:35][CH:34]=[CH:33][CH:32]=2)[C:28]([CH2:27][CH2:26][N:25]2[CH:17]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[C:16]([C:1](=[O:8])[C:2]3[CH:7]=[CH:6][CH:5]=[N:4][CH:3]=3)=[C:10]([OH:9])[C:11]2=[O:13])=[CH:29]1 | 2 |
ClC(=O)OC.NCC1CCC(C=2N(C1)N=C1C2CN(CC1)C(=O)OC(C)(C)C)(F)F>ClCCl.CCN(CC)CC>FC1(C=2N(CC(CC1)CNC(=O)OC)N=C1C2CN(CC1)C(=O)OC(C)(C)C)F | 3 |
[C:1]1([C:6]2[S:14][C:13]3[C:12]([C:15]([NH2:17])=[O:16])=[CH:11][N:10]=[C:9]([NH:18]CC4C=CC(OC)=CC=4)[C:8]=3[CH:7]=2)[CH2:5][CH2:4][CH2:3][CH:2]=1.C(O)(C(F)(F)F)=O>>[NH4+:10].[OH-:16].[NH2:18][C:9]1[C:8]2[CH:7]=[C:6]([C:1]3[CH2:5][CH2:4][CH2:3][CH:2]=3)[S:14][C:13]=2[C:12]([C:15]([NH2:17])=[O:16])=[CH:11][N:10]=1 | 1 |
[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([C:28]3[CH:29]=[C:30](/[CH:34]=[CH:35]/[C:36]([OH:38])=O)[CH:31]=[CH:32][CH:33]=3)=[C:7]([CH2:13][C:14]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=3[C:24]([F:27])([F:26])[F:25])=[O:15])[C:8](=[O:12])[O:9]2)=[CH:4][C:3]=1[CH3:39].C(N1C=CN=C1)(N1C=CN=C1)=O.[CH3:52][S:53]([NH2:56])(=[O:55])=[O:54].C1CCN2C(=NCCC2)CC1.Cl>CN(C=O)C>[Cl:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([C:28]3[CH:29]=[C:30](/[CH:34]=[CH:35]/[C:36]([NH:56][S:53]([CH3:52])(=[O:55])=[O:54])=[O:38])[CH:31]=[CH:32][CH:33]=3)=[C:7]([CH2:13][C:14]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=3[C:24]([F:26])([F:27])[F:25])=[O:15])[C:8](=[O:12])[O:9]2)=[CH:4][C:3]=1[CH3:39] | 2 |
ClC1=CC(=C(OC2=NC(=CC(=C2[N+](=O)[O-])NC(CC)CC)C)C(=C1)C)C>CCO[H].[HH].[Pd]>CC1=C(OC2=NC(=CC(=C2N)NC(CC)CC)C)C(=CC=C1)C | 3 |
[F:1][C:2]1[C:10]([O:11][C:12]2[C:21]3[C:16](=[CH:17][C:18]([O:24][CH2:25][C@H:26]4[CH2:28][O:27]4)=[C:19]([O:22][CH3:23])[CH:20]=3)[N:15]=[CH:14][N:13]=2)=[CH:9][CH:8]=[C:7]2[C:3]=1[CH:4]=[C:5]([CH3:29])[NH:6]2.[O:30]1[C:34]2([CH2:39][CH2:38][NH:37][CH2:36][CH2:35]2)[O:33][CH2:32][CH2:31]1>CN(C=O)C>[O:30]1[C:34]2([CH2:39][CH2:38][N:37]([CH2:28][C@@H:26]([OH:27])[CH2:25][O:24][C:18]3[CH:17]=[C:16]4[C:21]([C:12]([O:11][C:10]5[C:2]([F:1])=[C:3]6[C:7](=[CH:8][CH:9]=5)[NH:6][C:5]([CH3:29])=[CH:4]6)=[N:13][CH:14]=[N:15]4)=[CH:20][C:19]=3[O:22][CH3:23])[CH2:36][CH2:35]2)[O:33][CH2:32][CH2:31]1 | 1 |
O=C1C[C@H](N(C1)C(=O)OCC1=CC=CC=C1)C(N[C@@H]1CCCC2=CC=CC=C12)=O>>[C@H]1(CCCC2=CC=CC=C12)NC(=O)[C@H]1N(CC(=C1)OS(=O)(=O)C(F)(F)F)C(=O)OCC1=CC=CC=C1 | 5 |
[C:1]([O:5][C:6](=[O:38])[C@@H:7]([NH:30][C:31]([O:33][C:34]([CH3:37])([CH3:36])[CH3:35])=[O:32])[CH2:8][CH2:9][C:10]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])([CH2:14][CH2:15][C:16]1[CH:21]=[CH:20][C:19]([OH:22])=[CH:18][CH:17]=1)C(O)=O)([CH3:4])([CH3:3])[CH3:2]>O1CCOCC1>[C:34]([O:33][C:31]([NH:30][C@@H:7]([CH2:8][CH2:9][CH:10]([CH2:14][CH2:15][C:16]1[CH:17]=[CH:18][C:19]([OH:22])=[CH:20][CH:21]=1)[C:23]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:24])[C:6]([O:5][C:1]([CH3:4])([CH3:2])[CH3:3])=[O:38])=[O:32])([CH3:35])([CH3:36])[CH3:37] | 1 |
FC1=CC(=C(C=C1)[N+](=O)[O-])OCC(F)(F)F>O.[Fe].CCO[H].[Cl-].[NH4+]>FC1=CC(=C(N)C=C1)OCC(F)(F)F | 3 |
BrC1=CC2=C3N(N=C2C=C1)CCC3(C)C>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].C(C)(=O)[O-].[K+]>CC1(CCN2N=C3C=CC(=CC3=C21)B2OC(C(O2)(C)C)(C)C)C | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([C:13]2[N:17]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[N:16]=[C:15]([C:24]([OH:26])=O)[CH:14]=2)[CH:5]=[C:6]([O:8][C:9]([F:12])([F:11])[F:10])[CH:7]=1.ClC1C=C(C2N(C3C=NC=CC=3)N=C(C([N:48]3[CH2:53][CH2:52][NH:51][C:50](=[O:54])[CH2:49]3)=O)C=2)C=C(F)C=1.O=C1CNCCN1>>[Br:1][C:2]1[CH:3]=[C:4]([C:13]2[N:17]([C:18]3[CH:19]=[N:20][CH:21]=[CH:22][CH:23]=3)[N:16]=[C:15]([C:24]([N:48]3[CH2:53][CH2:52][NH:51][C:50](=[O:54])[CH2:49]3)=[O:26])[CH:14]=2)[CH:5]=[C:6]([O:8][C:9]([F:11])([F:10])[F:12])[CH:7]=1 | 1 |
BrC=1C(=C(C2=CC=CC=C2C1OC)OC)/C=C(/C(=O)O)\C>>BrC1=C(C(C2=CC=CC=C2C1=O)=O)/C=C(/C(=O)O)\C | 5 |
O1CC12CCN(CC2)C(=O)OCC>N>NCC1(CCN(CC1)C(=O)OCC)O | 3 |
[N:1]1([CH2:6][CH:7]2[CH2:12][CH2:11][CH2:10][CH2:9][NH:8]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[Cl:13][C:14]1[CH:24]=[CH:23][C:17]([O:18][CH2:19][C:20](O)=[O:21])=[CH:16][CH:15]=1>>[ClH:13].[Cl:13][C:14]1[CH:24]=[CH:23][C:17]([O:18][CH2:19][C:20]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12][CH:7]2[CH2:6][N:1]2[CH2:5][CH2:4][CH2:3][CH2:2]2)=[O:21])=[CH:16][CH:15]=1 | 1 |
[OH-].[K+].O.OC1(CCOC2=C(C=C(C=C12)Cl)OC(F)(F)F)C(=O)OC>C(C)(C)O>OC1(CCOC2=C(C=C(C=C12)Cl)OC(F)(F)F)C(=O)O | 3 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1)O.OC[C@H]1N(CCC1)C(=O)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC=1C=C(OC[C@H]2N(CCC2)C(=O)OCC2=CC=CC=C2)C=CC1 | 5 |
[C:1](=[NH:25])([O:3][CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][C:13]2[CH:18]=[CH:17][C:16]([Cl:19])=[C:15]([O:20][C:21]([F:24])([F:23])[F:22])[CH:14]=2)=[CH:8][CH:7]=1)[NH2:2].[OH:26]/[CH:27]=[C:28](/[CH2:33][C:34]1[CH:35]=[N:36][C:37]([O:40][CH3:41])=[N:38][CH:39]=1)\[C:29](OC)=O.C([O-])([O-])=O.[Cs+].[Cs+]>O1CCOCC1>[Cl:19][C:16]1[CH:17]=[CH:18][C:13]([O:12][C:9]2[CH:8]=[CH:7][C:6]([CH2:5][CH2:4][O:3][C:1]3[NH:2][CH:29]=[C:28]([CH2:33][C:34]4[CH:35]=[N:36][C:37]([O:40][CH3:41])=[N:38][CH:39]=4)[C:27](=[O:26])[N:25]=3)=[CH:11][CH:10]=2)=[CH:14][C:15]=1[O:20][C:21]([F:24])([F:22])[F:23] | 1 |
[I-].OC(CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)(CCCCC)C.C(C)(=O)O[C@@H]1[C@@H]([C@H](CC1)C=O)CCSC=1SC=C(N1)C(=O)OCC>C1CCCO1.C(CCC)[Li]>C(C)(=O)O[C@@H]1[C@@H]([C@H](CC1)\C=C\CC(CCCCC)(C)O)CCSC=1SC=C(N1)C(=O)OCC | 3 |
ClC=1C(C2=CC=CC=C2C(C1Cl)=O)=O.NC=1C=C(C(=O)NC2=NC=CN=C2)C=CC1>CCO[H]>ClC1=C(C(C2=CC=CC=C2C1=O)=O)NC=1C=C(C(=O)NC2=NC=CN=C2)C=CC1 | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=O)[C:10]1[CH:15]=[CH:14][N:13]=[C:12]([NH:16][C:17](=[O:24])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:11]=1.P(Cl)(Cl)(Cl)=O>C1(C)C=CC=CC=1>[NH:8]1[C:3]2[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=2[N:1]=[C:9]1[C:10]1[CH:15]=[CH:14][N:13]=[C:12]([NH:16][C:17](=[O:24])[C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[CH:11]=1 | 1 |
[Br:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:10]=1[NH:9][C:8](=[O:11])[C:7]2=[O:12].[OH:13]O>C(O)(=O)C>[Br:1][C:2]1[C:10]2[NH:9][C:8](=[O:13])[O:11][C:7](=[O:12])[C:6]=2[CH:5]=[CH:4][CH:3]=1 | 2 |
C=CCCC12C(=O)N(C(=O)OC(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C1C1CN(C(=O)OC)C2C(CCC#CC)C1OS(C)(=O)=O>>C=CCCC12C(=O)NC[C@H](O)C1C1C=C(CCC#CC)C2N(C(=O)OC)C1 | 5 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]23[CH2:18][CH:14]4[CH2:15][CH:16]([CH2:17]2)[C:12](C(O)=O)([CH2:13]4)[CH2:11]3)=[CH:6][CH:5]=1)([O-:3])=[O:2].OS(O)(=O)=O.[N-:27]=[N+]=[N-].[Na+]>C(Cl)(Cl)Cl.O>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([C:10]23[CH2:18][CH:14]4[CH2:15][CH:16]([CH2:17]2)[C:12]([NH2:27])([CH2:13]4)[CH2:11]3)=[CH:8][CH:9]=1)([O-:3])=[O:2] | 1 |
C(C)(C)(C)OC(=O)N(C(C)C=1C=C(C(=NC1)C=C)CCCNC(OC)=O)C1CC1>>C(C)(C)(C)OC(=O)N(C(C)C=1C=C(C(=NC1)CC)CCCNC(OC)=O)C1CC1 | 5 |
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