Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C1(CC1)C(=O)N.ClC1=CC2=C(C=N1)C=C(N2C)C2=C(C=C(C=C2)O)C>O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>OC1=CC(=C(C=C1)C1=CC=2C=NC(=CC2N1C)NC(=O)C1CC1)C
3
BrC=1C(=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C1)I)OCC=CC>>BrC1=CC2=C(C=3C(COC13)CC)CCN(CC2)C(C(F)(F)F)=O
5
[CH3:1][C:2]1[C:11]([CH3:12])=[C:10]([CH:13]=O)[C:9]([CH3:15])=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[N:7]2.[C:16]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C[CH:17]=1.C([Li])CCC>C1(C)C=CC=CC=1>[CH3:1][C:2]1[C:11]([CH3:12])=[C:10](/[CH:13]=[CH:16]/[CH3:17])[C:9]([CH3:15])=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[N:7]2
2
FC1C=C(C=CC=1)COC1C=CC(N)=CC=1.[F:17][C:18]1[CH:34]=[CH:33][C:21]([CH2:22][O:23][C:24]2[CH:29]=[CH:28][C:27]([N+:30]([O-])=O)=[CH:26][CH:25]=2)=[CH:20][CH:19]=1>>[F:17][C:18]1[CH:34]=[CH:33][C:21]([CH2:22][O:23][C:24]2[CH:29]=[CH:28][C:27]([NH2:30])=[CH:26][CH:25]=2)=[CH:20][CH:19]=1
1
FC([C@@H](C)N)(F)F.O1CCCC=2C1=CN=C(C2)NC(=O)N2C1=C(N3CC[C@H]2C3)C=CC(=N1)C(=O)O>N(C)(C)C=O.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>O1CCCC=2C1=CN=C(C2)NC(=O)N2C1=C(N3CC[C@H]2C3)C=CC(=N1)C(=O)N[C@@H](C(F)(F)F)C
3
Cl.[NH2:2][C@H:3]1[CH2:8][CH2:7][C@H:6]([NH:9][C:10]([C:12]2[C:16]3[N:17]=[CH:18][N:19]=[C:20]([C:21]4[CH:26]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:24]=[CH:23][C:22]=4[O:31][CH2:32][CH:33]4[CH2:35][CH2:34]4)[C:15]=3[NH:14][C:13]=2[CH3:36])=[O:11])[CH2:5][CH2:4]1.C([O:40][C@@H:41]([CH3:45])[C:42](Cl)=[O:43])(=O)C>>[CH...
1
O=[CH:2][C:3]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)([C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)[CH2:4][NH:5][C:6](=[O:12])[O:7][C:8]([CH3:11])([CH3:10])[CH3:9].[CH2:25]([NH2:30])[C:26]([CH3:29])([CH3:28])[CH3:27].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].[BH4-].[Na+].Cl>CN(C=O)C.COC(OC)OC.C(O)(=O)C.CO>[CH2:25]...
1
C(C1=CC=CC=C1)OC1=CC(=C(C=C1)Br)OC.C(C1=CC=CC=C1)OC1=CC(=C(C(=O)C=2N(C=CC2N2C(=CC=C2)C=O)S(=O)(=O)C2=CC=C(C)C=C2)C=C1)OC>>C(C1=CC=CC=C1)OC1=CC(=C(C=C1)C(=O)C=1N(C=CC1N1C(=CC=C1)C(O)C1=C(C=C(C=C1)OCC1=CC=CC=C1)OC)S(=O)(=O)C1=CC=C(C)C=C1)OC
5
[Cl-].[CH2:2]([N+:4]([CH2:7][CH2:8][O:9][CH3:10])([CH3:6])[CH3:5])[CH3:3].[Li+].[C:12]([S:16]([N-:19][S:20]([C:23]([F:26])([F:25])[F:24])(=[O:22])=[O:21])(=[O:18])=[O:17])([F:15])([F:14])[F:13]>O>[F:26][C:23]([F:24])([F:25])[S:20]([N-:19][S:16]([C:12]([F:13])([F:14])[F:15])(=[O:17])=[O:18])(=[O:21])=[O:22].[CH2:2]([N+:...
2
FC1C=C(C=C([B:17]2[O:21][C:20]([CH3:23])([CH3:22])[C:19]([CH3:25])([CH3:24])[O:18]2)C=1)CNC(=O)OC(C)(C)C.Br[C:27]1[CH:35]=[C:34]2[C:30]([CH2:31][CH2:32][CH:33]2[O:36][C:37]2[CH:42]=[CH:41][CH:40]=[CH:39][C:38]=2[CH2:43][C:44]([O:46][CH3:47])=[O:45])=[CH:29][CH:28]=1>>[CH3:24][C:19]1([CH3:25])[C:20]([CH3:23])([CH3:22])[...
2
NC1=C(C(=NC2=CC=CC(=C12)OC1CCCCC1)C)C(=O)O>O.CCO[H].C(O)([O-])=O.[Na+]>NC1=C(C(=NC2=CC=CC(=C12)OC1CCCCC1)C)C(=O)[O-].[Na+]
3
C(=O)C=1C=C(C=CC1)B(O)O.C=1(C(O)=CC=CC1)OC>ClCCl.c1ccncc1.C(C)(=O)[O-].[Cu+2].C(C)(=O)[O-]>COC1=C(OC=2C=C(C=O)C=CC2)C=CC=C1
3
C1COCCN1.BrC1=C(C(=C(C(=O)O)C=C1)C)OCC>N(C)(C)C=O.O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>BrC1=C(C(=C(C=C1)C(=O)N1CCOCC1)C)OCC
3
[C:1]([O:5][C:6](=[O:29])[C:7]1[CH:12]=[CH:11][C:10]([N:13]2[C:17]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[CH:16][CH:15]=[C:14]2[CH2:24][CH2:25][C:26](=O)[NH2:27])=[CH:9][CH:8]=1)([CH3:4])([CH3:3])[CH3:2].FC(F)(F)C(OC(=O)C(F)(F)F)=O>O1CCOCC1.N1C=CC=CC=1>[C:1]([O:5][C:6](=[O:29])[C:7]1[CH:12]=[CH:11][C:10]([N:1...
1
C(=O)C1=C(C(=C(C=2C(COC21)C2=CC=C(C=C2)C(C)C)C)NC(CC(C)(C)C)=O)C>C1CCCO1.[Mg].BrC1=CC=CC=C1.II>OC(C1=C(C(=C(C=2C(COC21)C2=CC=C(C=C2)C(C)C)C)NC(CC(C)(C)C)=O)C)C2=CC=CC=C2
3
ClC1=NC=C(C(=O)O)C=C1.NC=1SC=C(N1)C1=NC=CC=C1>CC#N.C(C)(=O)OCC.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>NCCCN
3
Br[C:2]1[CH:25]=[CH:24][C:5]([CH2:6][N:7]2[CH:12]=[C:11]3[N:13]=[C:14]([C:16]4[CH:21]=[CH:20][CH:19]=[C:18]([F:22])[C:17]=4[F:23])[N:15]=[C:10]3[CH:9]=[N:8]2)=[CH:4][C:3]=1[N+:26]([O-:28])=[O:27].[CH3:29][O:30][C:31]1[CH:36]=[CH:35][C:34](B(O)O)=[C:33]([C:40]([F:43])([F:42])[F:41])[CH:32]=1>>[F:23][C:17]1[C:18]([F:22])...
2
C([N:8]1[CH2:13][CH2:12][CH:11]([C:14]#[N:15])[CH2:10][CH2:9]1)C1C=CC=CC=1.[Cl:16]C(OC(Cl)C)=O>ClCCCl>[ClH:16].[NH:8]1[CH2:13][CH2:12][CH:11]([C:14]#[N:15])[CH2:10][CH2:9]1
1
Cl.Cl[Sn]Cl.O.[F:6][C:7]1[CH:12]=[C:11]([I:13])[CH:10]=[CH:9][C:8]=1[NH:14][C:15]1[C:16]([N+:26]([O-])=O)=[C:17]2[O:25][CH2:24][CH2:23][N:18]2[C:19](=[O:22])[C:20]=1[CH3:21].C(=O)(O)[O-]>C(O)C.C(OC(=O)C)C>[NH2:26][C:16]1[C:15]([NH:14][C:8]2[CH:9]=[CH:10][C:11]([I:13])=[CH:12][C:7]=2[F:6])=[C:20]([CH3:21])[C:19](=[O:22]...
1
ClC=1C=C(C=CC1S(=O)(=O)C)[C@H](C(=O)O)CC1CCCC1.NC1=NC=C(C#N)C=C1>N(C)(C)C=O.C1CCCO1.ClCCl.c1ccncc1.C(C(=O)Cl)(=O)Cl>ClC=1C=C(C=CC1S(=O)(=O)C)[C@H](C(=O)NC1=NC=C(C=C1)C#N)CC1CCCC1
3
C(C)(C)(C)OC([C@@H](N)COC(C)(C)C)=O.C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)NC=1C=C(C=CC1)C1=CC=C(C=C1)C(=O)O>>C(C)(C)(C)OC([C@H](COC(C)(C)C)NC(=O)C1=CC=C(C=C1)C1=CC(=CC=C1)NC(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)=O
5
N1=C(C=CC=C1)CCS.NC1=NC(=C(C(=N1)Cl)C#N)S(=O)C>COCCOC.C1CCC2=NCCCN2CC1>NC1=NC(=C(C(=N1)Cl)C#N)SCCC1=NC=CC=C1
3
C(C)C(CC)C1=CC=C(C2=C1N(C(N2)=O)C)OC>>ClC1=NC2=C(N1C)C(=CC=C2OC)C(CC)CC
5
CS(=O)(=O)O[C@@H]1CC[C@@H](CC1)C1=C(C=C(C=C1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C>>C1(=CC=CC=C1)S[C@@H]1CC[C@H](CC1)C1=C(C=C(C=C1)O)O
5
ClC=1C=CC(=NC1)NC([C@H](COCC)O)=O.ClC1=C2C(=NC=N1)N(N=C2)C=2C(=NC=CC2)C>>ClC=1C=CC(=NC1)NC([C@H](COCC)OC1=C2C(=NC=N1)N(N=C2)C=2C(=NC=CC2)C)=O
5
[C:1]([O:4][CH2:5][C:6]1[CH2:13][S:12][C@@H:11]2[N:8]([C:9](=[O:29])[C@H:10]2[N:14]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=2)[CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=2)[C:7]=1[C:30]([O:32]C)=[O:31])(=[O:3])[CH3:2].O.[OH-].[Li+].Cl>C1COCC1>[C:1]([O:4][CH2:5][C:6]1[CH2:13][S:12][C@@H:11]2[N:8]([C:...
2
Cl[C:2]([O:4][CH2:5][CH3:6])=[O:3].[C:7]([O:15][CH3:16])(=[O:14])[C:8]1[CH:13]=[CH:12][CH:11]=[N:10][CH:9]=1.[F:17][C:18]1[CH:23]=[CH:22][C:21]([Mg]Br)=[CH:20][CH:19]=1.[Cl-].[NH4+].N>O1CCCC1.C(OCC)(=O)C>[CH2:5]([O:4][C:2]([N:10]1[CH:11]=[CH:12][CH:13]([C:21]2[CH:22]=[CH:23][C:18]([F:17])=[CH:19][CH:20]=2)[C:8]([C:7]([...
1
C(C)(C)(C)OC(=O)N1CCC(CC1)C(=O)OC>C1CCCO1.C(CCC)[Li].C(C)(C)NC(C)C.ClCI>ClCC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC
3
O=C(C(=O)O)C=1OC=CC1>C(Cl)(Cl)(Cl)[H].S(O)(O)(=O)=O.CCO[H]>C(C)OC(C(=O)C=1OC=CC1)=O
3
Br[C:2]1[CH:3]=[C:4]([CH2:9][NH:10][C:11]([C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([C:19]([NH:21][CH2:22][C:23]3[C:24]([NH:36][CH:37]4[CH2:42][CH2:41][O:40][CH2:39][CH2:38]4)=[C:25]4[CH:33]=[N:32][N:31]([CH2:34][CH3:35])[C:26]4=[N:27][C:28]=3[CH2:29][CH3:30])=[O:20])[CH:14]=2)=[O:12])[CH:5]=[CH:6][C:7]=1[Cl:8].[CH3:43][C@H...
1
CN(C)CC1=CC=2CN(CCC2O1)C(=O)C1CCN(CC1)C(C1=CC=CC=C1)=O>CO[H].Cl.C(C)(=O)OCC>Cl.CN(C)CC1=CC=2CN(CCC2O1)C(=O)C1CCN(CC1)C(C1=CC=CC=C1)=O
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(#N)CCNCCC#N>>C(C)(C)(C)OC(=O)N1CC(=C(CC1)O)C#N
5
[Li+].[OH-].[Br:3][C:4]1[CH:5]=[C:6]([CH2:32][C:33]([OH:35])=[O:34])[CH:7]=[C:8]([Br:31])[C:9]=1[O:10][C:11]1[CH:16]=[C:15]([CH:17]([CH3:19])[CH3:18])[C:14]([O:20][CH3:21])=[CH:13][C:12]=1[C:22](=[O:30])[C:23]1[CH:28]=[CH:27][CH:26]=[C:25]([CH3:29])[CH:24]=1.[BH4-].[Na+].Cl>O>[Br:3][C:4]1[CH:5]=[C:6]([CH2:32][C:33]([OH...
2
BrCC(C(F)(F)F)=O.CS(=O)(=O)C1=CC=C(C=C1)NC(=N)C1=CC=C(C=C1)C=1SC=CC1>>OC1(N=C(N(C1)C1=CC=C(C=C1)S(=O)(=O)C)C1=CC=C(C=C1)C=1SC=CC1)C(F)(F)F
5
BrC=1C(=CC(=C(C1)N(S(=O)(=O)C)CC(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)I)Cl>>BrC=1C=C2N=CC(N(C2=CC1Cl)C1CCN(CC1)C(=O)OC(C)(C)C)=O
5
[CH:1]1([N:6]2[C:10]3=[N:11][C:12](S(C)(=O)=O)=[N:13][C:14](=[O:15])[C:9]3=[C:8]([CH2:20][CH3:21])[NH:7]2)[CH2:5][CH2:4][CH2:3][CH2:2]1.[C:22]1([OH:28])[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.[H-].[Na+]>O>[CH:1]1([N:6]2[C:10]3=[N:11][C:12]([O:28][C:22]4[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=4)=[N:13][C:14](=[O:15])[C:9]...
1
C(C)OC(CC1=C(C=CC(=C1)N1CCN(CC1)C)NC(C)=O)=O>N>C(C)(=O)NC1=C(C=C(C=C1)N1CCN(CC1)C)CC(=O)N
3
C(C)(=O)OC(C)(C)C.COC1=CC=C(C(C(=O)OC)=C1)O>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>OC1=C(C=C(C=C1)OC)C(CC(=O)OC(C)(C)C)=O
3
ClC=1C(=C(C=CC1)[C@H]1[C@@H](N([C@H]([C@]1(C#N)C1=C(C=C(C=C1)Cl)F)CC(C)(C)C)C)C(=O)O)F.NC1=CN(C=C1)CC(C)(O)C>ClCCl.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>OC(CN1N=C(C=C1)NC(=O)[C@@H]1N([C@H]([C@]([C@H]1C1=C(C(=CC=C1)Cl)F)(C#N)C1=C(C=C(C=C1)Cl)F)CC(C)(C)C)C)(C)C
3
C=CC1=CC=CC=C1.BrC1=C2C(=NNC2=CC=C1)O[C@H]1[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)C)=O)[C@H](O1)COC(C(C)(C)C)=O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>C1(=CC=CC=C1)/C=C/C1=C2C(=NNC2=CC=C1)O[C@H]1[C@H](OC(C(C)(C)C)=O)[C@@H](OC(C(C)(C)C)=O)[C@H](OC(C(C)(C)...
3
[C:1]1([CH2:7][CH2:8][CH2:9][C:10]([OH:12])=[O:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(=O)([O-])[O-].[Na+:17].[Na+]>CO>[C:1]1([CH2:7][CH2:8][CH2:9][C:10]([O-:12])=[O:11])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Na+:17]
2
C1(=CC=CC=C1)O.ClS(=O)(=O)N=C=O.S(N)(=O)(=O)Cl>>C1(=CC=CC=C1)OS(N)(=O)=O
5
C(C)(=O)OCC(CN1C([C@H](O[C@@H](C2=C1C=CC(=C2)Cl)C2=C(C(=CC=C2)OC)OC)CC=2SC(=C(N2)CCC(=O)OC)C)=O)(C)C>CCO[H].[OH-].[Na+]>ClC=1C=CC2=C([C@H](O[C@@H](C(N2CC(CO)(C)C)=O)CC=2SC(=C(N2)C(C(=O)O)C)C)C2=C(C(=CC=C2)OC)OC)C1
3
[CH3:1][C:2]1([CH3:31])[CH2:11][CH2:10][C:9]2[N:8]=[CH:7][N:6]=[C:5]([N:12]3[CH2:18][C:17]4[CH:19]=[C:20]([C:23]5[CH:24]=[C:25]([NH2:30])[C:26]([NH2:29])=[N:27][CH:28]=5)[CH:21]=[CH:22][C:16]=4[O:15][CH2:14][CH2:13]3)[C:4]=2[CH2:3]1.[CH3:32][O:33][C:34]([NH:36][C:37](=NC(OC)=O)SC)=[O:35]>C(O)(=O)C>[CH3:1][C:2]1([CH3:31...
1
Br.BrCC=1C=NC=CC1.COC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)OC>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>COC1=CC=C(C=C1)S(=O)(=O)N([C@H](CC(C)C)C(=O)OC)CC=1C=NC=CC1
3
N1CCC(C(=O)OCC)CC1.BrC=1C=CC(=C(C1)C1=NC2=C(N1C(=O)OC(C)(C)C)C=CC=C2)Cl>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>C(C)(C)(C)OC(=O)N1C(=NC2=C1C=CC=C2)C2=C(C=CC(=C2)N2CCC(CC2)C(=O)OCC)Cl
3
[Cl:1][C:2]1[CH:7]=[C:6](Cl)[N:5]=[C:4]([NH:9][CH2:10][CH2:11][CH2:12][O:13][CH3:14])[N:3]=1.[NH3:15]>O1CCOCC1>[NH2:15][C:6]1[CH:7]=[C:2]([Cl:1])[N:3]=[C:4]([NH:9][CH2:10][CH2:11][CH2:12][O:13][CH3:14])[N:5]=1
1
[C:1]([C:4]1[CH:13]=[CH:12][C:11]([OH:14])=[C:10]2[C:5]=1[CH:6]=[CH:7][C:8](=[O:15])[NH:9]2)(=[O:3])[CH3:2].CC(C)=O.[CH2:20](Br)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>O>[C:1]([C:4]1[CH:13]=[CH:12][C:11]([O:14][CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)=[C:10]2[C:5]=1[CH:6]=[CH:7][C:8](=[O:15])[NH:9]...
2
C(CC=C)(=O)O.C(=C)C=1C(=NC=CN1)N>O.ClCCl.ClS(Cl)=O.CCN(CC)CC>C(=C)C=1C(=NC=CN1)NC(CC=C)=O
3
BrC1=NNC2=NC=NC(=C21)Cl.N1C(=CC2=CC=CC=C12)CNC(=O)C1(CCNCC1)CN>>N1C(=CC2=CC=CC=C12)CNC(=O)C1(CCN(CC1)C1=C2C(=NC=N1)NN=C2Br)CN
5
[NH2:1][C:2]1[N:6]([CH:7]2[CH2:12][CH2:11][CH2:10][N:9]([C:13]#[N:14])[CH2:8]2)[N:5]=[C:4]([C:15]2[CH:20]=[CH:19][C:18]([O:21][C:22]3[CH:27]=[CH:26][C:25](Cl)=[C:24](C)[CH:23]=3)=[CH:17][CH:16]=2)[C:3]=1[C:30]([NH2:32])=[O:31].[F:33]C1C=CC(O)=CC=1>>[NH2:1][C:2]1[N:6]([CH:7]2[CH2:12][CH2:11][CH2:10][N:9]([C:13]#[N:14])[...
2
C[Si](C)(C)C=[N+]=[N-].N([C@@H]([C@H](OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C)C(=O)O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12>>N([C@@H]([C@H](OC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C)C(=O)OC)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
5
C(OC([N:8]([CH:34]([CH2:40][C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][N:42]=1)[C:35]([O:37][CH2:38][CH3:39])=[O:36])[C:9]1[CH:14]=[CH:13][C:12]([NH:15][C:16]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[C:24]2[CH:29]=[CH:28][C:27]([C:30]([F:33])([F:32])[F:31])=[CH:26][CH:25]=2)=[O:17])=[CH:11][CH:10]=1)=O)(C)(C)C.Cl.C(=O)(...
2
NC=1C=C(C=C(C1)OC)SCCO.C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=CC=C(C2=CC=CC=C12)OC1=NC(=NC=C1)Cl)C1=CC=C(C=C1)C>>C(C)(C)(C)C1=NN(C(=C1)NC(=O)NC1=CC=C(C2=CC=CC=C12)OC1=NC(=NC=C1)NC1=CC(=CC(=C1)OC)SCCO)C1=CC=C(C=C1)C
5
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[C:11]1[C:19]2[C:14](=[N:15][CH:16]=[N:17][C:18]=2[NH2:20])[NH:13][N:12]=1.[C:21]([O-])([O-])=O.[K+].[K+].[CH2:27](Br)[CH:28]([CH3:30])[CH3:29].O>CN(C=O)C>[CH2:21]([N:13]1[C:14]2=[N:15][CH:16]=[N:17][C:18]([NH2:20])=[C:19]2[C:11]([C:2]2[CH:3]=[CH:4][C...
1
C(OC(N(C)[C@@H](C)C(N[C@@H](C(C)(C)C)C(N1C[C@@H](C2C=C3C(C[C@@H](C(=O)N[C@H]4C5C(=CC=CC=5)CCC4)N(C(=O)[C@@H](NC(=O)[C@@H](N(C(OC(C)(C)C)=O)C)C)C(C)(C)C)C3)=CC=2)C[C@H]1C(N[C@@H](CC1C=CC=CC=1)C(O)=O)=O)=O)=O)=O)(C)(C)C.FC(F)(F)S(O[C:91]1[CH2:95][N:94]([C:96]([O:98][C:99]([CH3:102])([CH3:101])[CH3:100])=[O:97])[C@H:93]([...
1
ClCOC.C(C)OC(C1=CC(=C(C=C1)C)O)=O>>C(C)OC(C1=CC(=C(C=C1)C)OCOC)=O
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@H](C(=O)OC)CCCC(=O)OC>>C(C)(C)(C)OC(=O)N([C@H](C(=O)OC)CCCC(=O)OC)C(=O)OC(C)(C)C
5
Cl.Cl.NC1(CCNCC1)CO.FC(S(=O)(=O)OC=1N=C2C(=NC1)N=C(C=C2)Cl)(F)F>O.C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>NC1(CCN(CC1)C=1N=C2C(=NC1)N=C(C=C2)Cl)CO
3
N1=CC(=CC=C1)C=1C=NC2=CC=C(C=C2N1)C(=O)C=1C=C(C=CC1)NC(C(C)(C)C)=O>Cl.[OH-].[Na+].C(C)(=O)O>NC=1C=C(C=CC1)C(=O)C=1C=C2N=C(C=NC2=CC1)C=1C=NC=CC1
3
[F:1][C:2]1[CH:7]=[C:6](Br)[CH:5]=[CH:4][C:3]=1[S:9]([NH:12][C:13]1[CH:18]=[CH:17][C:16]([C@@H:19]2[CH2:23][CH2:22][N:21]([CH2:24][CH2:25][CH3:26])[CH2:20]2)=[CH:15][CH:14]=1)(=[O:11])=[O:10].[CH2:27]([Sn](CCCC)(CCCC)C(C)=C)[CH2:28][CH2:29]C>O1CCCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=C...
2
FC(F)(F)C(O)=O.C(OC(=O)[NH:14][C:15]1[N:20]=[CH:19][C:18]([C:21]2[N:29]=[C:28]3[C:24]([N:25]=[C:26]([N:35]4[CH2:40][CH2:39][N:38]([C:41](=[O:47])[C:42]([N:44]([CH3:46])[CH3:45])=[O:43])[CH2:37][CH2:36]4)[N:27]3[CH2:30][C:31]([F:34])([F:33])[F:32])=[C:23]([N:48]3[CH2:53][CH2:52][O:51][CH2:50][CH2:49]3)[N:22]=2)=[CH:17][...
1
C(C)OC(C=C(OCC)N)=O.ClC1=C(C=C(CNN)C=C1)OCC>CCO[H].C1(=CC=C(C=C1)S(=O)(=O)O)C>NC=1NN(C(C1)=O)CC1=CC(=C(C=C1)Cl)OCC
3
C(C)(C)(C)OC(=O)N1CCC(=CC1)B1OC(C(O1)(C)C)(C)C.BrC1=C(C(=C(C(=C1)Cl)Cl)Cl)OC>>ClC=1C(=C(C=C(C1Cl)Cl)C=1CCN(CC1)C(=O)OC(C)(C)C)OC
5
C(C)(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)O>ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>CON(C(=O)[C@H](CCC1=CC=CC=C1)NC(OC(C)(C)C)=O)C
3
COC(=O)CP(=O)(OC)OC.FC1(CCC(CC1)=O)F>C1CCCO1.[H-].[Na+]>FC1(CCC(CC1)=CC(=O)OC)F
3
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:20]=[CH:19][C:12]3[N:13]=[C:14](S(C)=O)[S:15][C:11]=3[CH:10]=2)[CH:5]=[CH:4][N:3]=1.[NH2:21][C@H:22]1[CH2:27][CH2:26][CH2:25][N:24]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:23]1.CCN(C(C)C)C(C)C>CN1C(=O)CCC1>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:20]=[CH:19][C...
1
[N+](=O)([O-])C=1C=C2C=CN(C2=CC1)CC(=O)OC>>NC=1C=C2C=CN(C2=CC1)CC(=O)OC
5
COC([C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)N)=O.C(C)(=O)C=1C=CC2=C(C(=C(O2)C(=O)O)C)C1OC>N(C)(C)C=O.c1ccncc1.C(C(=O)Cl)(=O)Cl>COC([C@H](C(C)C)NS(=O)(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)NC(=O)C=1OC2=C(C1C)C(=C(C=C2)C(C)=O)OC)=O
3
CN1CC2=C(N(C=3C=CC(=CC23)C)CC(CC(=O)O)C2=CC=NC=C2)CC1>ClCCl.CCN(CC)CC.[Cl-].[NH4+].C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=C5)N=N4.F[P-](F)(F)(F)(F)F>CN1CC2=C(N(C=3C=CC(=CC23)C)CC(CC(=O)N)C2=CC=NC=C2)CC1
3
C1COC(OCC)(C2C(CCN(CC2)C(=O)OC)=O)O1>CO[H].Cl.[Na].C(C)(=O)OCC.C[O-].[Na+].Cl.NO>C1COC(NO)(C2C(CCN(CC2)C(=O)OC)=O)O1
3
C(C)(C)(C)OC(=O)N1CCC(CC1)N1CCN(CC1)C1=NC(=CC=C1)C1=CN=C2N1N=C(C=C2)N2[C@H](CCC2)C2=CC(=CC=C2)F>ClCCl.C(=O)(C(F)(F)F)O>FC=1C=C(C=CC1)[C@@H]1N(CCC1)C=1C=CC=2N(N1)C(=CN2)C2=NC(=CC=C2)N2CCN(CC2)C2CCNCC2
3
Cl.[Br:2][C:3]1[CH:4]=[CH:5][C:6]2[N:7]([C:9]([CH:12]([CH3:14])[CH3:13])=[N:10][N:11]=2)[CH:8]=1.O.[OH-].[Na+]>ClCCl>[Br:2][C:3]1[CH:4]=[CH:5][C:6]2[N:7]([C:9]([CH:12]([CH3:14])[CH3:13])=[N:10][N:11]=2)[CH:8]=1
1
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[NH:9][C:10]([C:12]1[CH:16]=[CH:15][N:14]([CH2:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=2[OH:24])[N:13]=1)=[O:11].C(=O)([O-])[O-].[K+].[K+].[CH:31]1(I)[CH2:35][CH2:34][CH2:33][CH2:32]1>CN(C=O)C>[CH:31]1([O:24][C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=2[CH2:17][N...
2
[NH2:1][C:2]1[C:24]([CH3:25])=[C:23]([CH3:26])[C:5]2[O:6][C:7]([CH3:22])([CH2:9][N:10]3[CH2:15][CH2:14][CH:13]([C:16]4[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=4)[CH2:12][CH2:11]3)[CH2:8][C:4]=2[C:3]=1[CH3:27].[C:28]([OH:38])(=[O:37])[C@H:29]([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[OH:30]>C(Cl)(Cl)Cl.CO>[C:28]([OH:...
1
[S:1]1[CH2:4][CH:3]([NH:5][C:6]([C:8]2[CH:12]=[C:11]([CH2:13][O:14][CH2:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[O:10][N:9]=2)=[O:7])[CH2:2]1.ClC1C=CC=C(C(OO)=[O:30])C=1.S([O-])([O-])=O.[Na+].[Na+]>C(Cl)(Cl)Cl>[O:30]=[S:1]1[CH2:4][CH:3]([NH:5][C:6]([C:8]2[CH:12]=[C:11]([CH2:13][O:14][CH2:15][C:16]3[CH:21]=[CH...
2
CC1=NOC(=C1B(O)O)C.C(C1=CC=CC=C1)N1C(C=2C=CC=NC2C(=C1)Br)=O>C1(=CC=CC=C1)C.O.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C1=CC=CC=C1)N1C(C=2C=CC=NC2C(=C1)C=1C(=NOC1C)C)=O
3
[NH:1]1[CH:5]=[N:4][CH:3]=[N:2]1.Cl[C:7]1[N:8]=[C:9]([NH:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[C:21]([Cl:27])[CH:20]=2)[C:10]2[CH:15]=[C:14]([Cl:16])[S:13][C:11]=2[N:12]=1>>[N:1]1([C:7]2[N:8]=[C:9]([NH:17][CH2:18][C:19]3[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[C:21]([Cl:27])[CH:20]=3)[C:10]3[CH:15]=[C:...
1
[CH3:1][N:2]1[C:7]2=[CH:8][N:9]([CH2:14][CH2:15][S:16][C:17]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[C:10](B(O)O)=[C:6]2[C:5](=[O:36])[N:4]([CH3:37])[C:3]1=[O:38].Br[C:40]1[CH:41]=[C:42]([CH:45]=[CH:46][CH:47]=1)[C:43...
1
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[C:8]([Br:10])[CH:9]=1)[CH2:5][OH:6].[H-].[Na+].[CH2:13](I)[CH3:14]>O1CCCC1>[Br:1][C:2]1[CH:3]=[C:4]([CH2:5][O:6][CH2:13][CH3:14])[CH:7]=[C:8]([Br:10])[CH:9]=1
1
[Cl:1][C:2]1[CH:12]=[C:11]([C:13]2[CH:14]=[CH:15][C:16]3[N:17]([C:19]([C:22]4[CH:27]=[CH:26][C:25]([C:28]#[N:29])=[CH:24][CH:23]=4)=[CH:20][N:21]=3)[CH:18]=2)[CH:10]=[CH:9][C:3]=1[C:4]([O:6]CC)=[O:5].[Li+].[OH-]>C1COCC1.CO.O>[Cl:1][C:2]1[CH:12]=[C:11]([C:13]2[CH:14]=[CH:15][C:16]3[N:17]([C:19]([C:22]4[CH:27]=[CH:26][C:...
2
C1COCCN1.C(C)(C)(C)OC(=O)N1CCC(CC1)=O.CC1=CC=CC2=C1N=C(S2)CC#N>CCO[H].[S]>NC1=C(C2=C(CN(CC2)C(=O)OC(C)(C)C)S1)C=1SC2=C(N1)C(=CC=C2)C
3
C1(=CC=CC=C1)C#C.ClC1=NC(=NC=C1I)N=CN(C(C)C)C(C)C>[Cu]I.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].CCN(CC)CC>ClC1=NC(=NC=C1C#CC1=CC=CC=C1)N=CN(C(C)C)C(C)C
3
FC(C=1C=C(CBr)C=C(C1)C(F)(F)F)(F)F.CC1=CC2=C(N(CCC[C@@H]2NC=2N=NN(N2)C)C(=O)OCC2=CC=CC=C2)C(=C1)C>>FC(C=1C=C(CN([C@@H]2C3=C(N(CCC2)C(=O)OCC2=CC=CC=C2)C(=CC(=C3)C)C)C=3N=NN(N3)C)C=C(C1)C(F)(F)F)(F)F
5
[OH:1][C:2]1[CH:10]=[CH:9][C:8]([CH3:11])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[Br:12]Br>C(O)(=O)C>[Br:12][C:10]1[C:2]([OH:1])=[C:3]([CH:7]=[C:8]([CH3:11])[CH:9]=1)[C:4]([OH:6])=[O:5]
2
C(C1=CC=C(C=C1)OC)(=O)Cl.CC(=O)C=1C=CC(=CC1O)O>C1CCCO1.[OH-].[Li+]>COC1=CC=C(C=2OC3=CC(=CC=C3C(C2)=O)O)C=C1
3
CC(C)(C)OC(=O)N[C@H](C1=CC=CC=C1)C(=O)O.CSC1=NN2C(S1)=NC(=C2)C=2OC1=C(N2)C(=CC=C1)OC[C@H]1N(CCC1)C(=O)OC(C)(C)C>>CSC1=NN2C(S1)=NC(=C2)C=2OC1=C(N2)C(=CC=C1)OC[C@H]1N(CCC1)C([C@@H](C1=CC=CC=C1)NC(OC(C)(C)C)=O)=O
5
[O:1]=[C:2]1[C:7]2([CH2:12][CH2:11][N:10]([C:13](OC(C)(C)C)=O)[CH2:9][CH2:8]2)[CH2:6][CH2:5][CH2:4][NH:3]1.[H-].[Na+].Cl[CH2:23][C:24]1[C:33]2[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=2)[CH:27]=[CH:26][CH:25]=1.[CH3:34][N:35]([CH:37]=O)C>C1COCC1.[I-].C([N+](CCCC)(CCCC)CCCC)CCC>[C:24]1([CH2:23][N:3]2[CH2:4][CH2:5][CH2:6][C:...
1
[CH:1]1([C:4]2[N:13]=[C:12]([N:14]3[CH2:19][CH2:18][N:17]([C:20]4[CH:25]=[CH:24][C:23](F)=[CH:22][C:21]=4[O:27][CH3:28])[CH2:16][CH2:15]3)[C:11]3[C:6](=[CH:7][C:8]([O:31][CH3:32])=[C:9]([O:29][CH3:30])[CH:10]=3)[N:5]=2)[CH2:3][CH2:2]1.F[C:34]1C=CC(N2CCNCC2)=C(OC)C=1.COC1C=CC(C)=CC=1N1CCNCC1>>[CH:1]1([C:4]2[N:13]=[C:12]...
2
ClC=1C=C(C=CC1Cl)O.ClC=1N=C(C2=C(N1)C(=NC=C2)C=2N=CN(C2)C)O>>ClC=1C=C(OC=2N=C(C3=C(N2)C(=NC=C3)C=3N=CN(C3)C)O)C=CC1Cl
5
[CH3:1][S:2]([N:5]=[C:6]([O:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)OC1C=CC=CC=1)(=[O:4])=[O:3].[CH3:21][N:22]([CH2:31][C:32]1[O:36][C:35]([CH2:37][S:38][CH2:39][CH2:40][NH2:41])=[CH:34][CH:33]=1)[C:23]([O:25][CH2:26][C:27]([Cl:30])([Cl:29])[Cl:28])=[O:24]>C(Cl)Cl>[CH3:1][S:2]([NH:5][C:6](=[N:41][CH2:40][CH2:...
1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:16]3[C:15]([NH2:17])=[N:14][CH:13]=[N:12][C:11]=3[S:10][C:9]=2[CH3:18])=[CH:4][CH:3]=1.N1C=CC=CC=1.[C:25]1([S:31](Cl)(=[O:33])=[O:32])[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=1>ClCCl.O>[NH2:17][C:15]1[C:16]2[C:8]([C:5]3[CH:4]=[CH:3][C:2]([NH:1][S:31]([C:25]4[CH:30]=[CH:29][CH:28]=[...
1
C(C(C)C)OC1=CC=C(CN=C=O)C=C1.C(C1=CC=CC=C1)OC1=C(C=CC(=C1)F)CNC1CCN(CC1)C>ClCCl>C(C1=CC=CC=C1)OC1=C(C=CC(=C1)F)CN(C(=O)NCC1=CC=C(C=C1)OCC(C)C)C1CCN(CC1)C
3
[OH:1][C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][C:10]=2[Cl:12])[N:5]([CH3:13])[C:4](=[O:14])[C:3]=1[C:15]([OH:17])=O.C(N(C(C)C)CC)(C)C.[CH2:27]([NH:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[CH3:28].S(Cl)(Cl)=O>C1(C)C=CC=CC=1>[CH3:28][CH2:27][N:29]([C:15]([C:3]1[C:4](=[O:14])[N:5]([CH3:13])[C:6]2[CH:7]=[CH:8][CH:...
1
C1(C=2C(C(N1)=O)=CC=CC2)=O.C1(=C(C=CC=C1)C(=O)N1C(CCC(=C1)OC)CO)C1=CC=CC=C1>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C=1(C(=CC=CC1)C(=O)N1C(CCC(C1)(OC)OC)CN1C(C2=CC=CC=C2C1=O)=O)C1=CC=CC=C1
3
S(Cl)(Cl)=O.[N+:5]([C:8]1[C:9]([C:13]([OH:15])=[O:14])=[N:10][NH:11][CH:12]=1)([O-:7])=[O:6].[CH3:16][CH2:17]O>>[CH2:16]([O:14][C:13]([C:9]1[C:8]([N+:5]([O-:7])=[O:6])=[CH:12][NH:11][N:10]=1)=[O:15])[CH3:17]
1
C(Cl)(=O)C(Cl)=O.CS(C)=O.[C:11]([O:15][C:16]([N:18]1[CH2:22][C@H:21]([OH:23])[CH2:20][C@H:19]1[CH2:24][O:25][C:26](=[O:36])[C:27]1[CH:32]=[CH:31][C:30]([N+:33]([O-:35])=[O:34])=[CH:29][CH:28]=1)=[O:17])([CH3:14])([CH3:13])[CH3:12].C(N(CC)C(C)C)(C)C>ClCCl>[C:11]([O:15][C:16]([N:18]1[CH2:22][C:21](=[O:23])[CH2:20][C@H:19...
1
C(C)(C)(C)OC(=O)N1CC(C(CC1)=O)F>O(O[H])[H].C1CCCO1.C(C)(CC)[BH-](C(C)CC)C(C)CC.[Li+]>FC1CN(CCC1O)C(=O)OC(C)(C)C
3
FC1=CC=C(N)C=C1.ClC1=CC(=NC=N1)OC1=CC=C(C=C1)NC(=O)NC1=CC=CC=C1>>FC1=CC=C(C=C1)NC1=CC(=NC=N1)OC1=CC=C(C=C1)NC(=O)NC1=CC=CC=C1
5
O1CCN(CC1)CC=1N=C(SC1)C(=O)OCC>C1CCCO1.CC(C)C[AlH]CC(C)C>O1CCN(CC1)CC=1N=C(SC1)CO
3