Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
OC=1C=C(C=C(C1)OC(F)(F)F)B(O)O.C1C(CC2=CC=CC=C12)N1N=C(C=2C1=NC=NC2N)I>N(C)(C)C=O.O.Cl.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>NC1=C2C(=NC=N1)N(N=C2C=2C=C(C=C(C2)OC(F)(F)F)O)C2CC1=CC=CC=C1C2
3
Br[C:2]1[S:6][C:5]([N:7]2[CH2:12][CH2:11][C:10]([CH2:18][CH2:19][O:20][C:21]3[CH:22]=[C:23]([CH2:28][C:29]([OH:31])=[O:30])[CH:24]=[C:25]([Cl:27])[CH:26]=3)([N:13]3[CH2:17][CH2:16][CH2:15][CH2:14]3)[CH2:9][CH2:8]2)=[N:4][CH:3]=1.[F:32][C:33]1[CH:34]=[C:35](B(O)O)[CH:36]=[CH:37][CH:38]=1.C(=O)([O-])[O-].[Na+].[Na+]>[Pd]...
1
C(C)(=O)NC=1C=C2CCCC2=CC1>BrBr.C(C)(=O)O>BrC1=C(C=C2CCCC2=C1)NC(C)=O
3
OC=1C=CC(=C(N)C1)C.IC=1C=CC=2N(N1)C=C(N2)NC(=O)C2CC2>>NC=1C=C(OC=2C=CC=3N(N2)C=C(N3)NC(=O)C3CC3)C=CC1C
5
C(C)(C)I.OC=1C=C(C=C2C(CCC(C12)=O)(C)C)C#C[Si](C)(C)C>>CC1(CCC(C2=C(C=C(C=C12)C#C[Si](C)(C)C)OC(C)C)=O)C
5
[OH:1][CH2:2][CH:3]1[CH2:7][CH2:6][CH:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[O:14][CH3:15])[N:4]1[C:16]([O:18][CH2:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:17].[CH3:26]I.[H-].[Na+]>CN(C=O)C>[CH3:26][O:1][CH2:2][CH:3]1[CH2:7][CH2:6][CH:5]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=2[O:14][CH3:15])[N:...
1
BrCC1CC1.BrC=1C=CC=C2C=C(NC12)C(=O)OCC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>BrC=1C=CC=C2C=C(N(C12)CC1CC1)C(=O)OCC
3
[C:1]([C:4]1[CH:5]=[C:6]([C:14]2[NH:15][C:16](=[O:31])[C:17]3[C:18](=[C:20]([CH2:29][CH3:30])[N:21]([CH:23]4[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]4)[N:22]=3)[N:19]=2)[C:7]([O:10][CH2:11][CH2:12][CH3:13])=[N:8][CH:9]=1)(=[O:3])[CH3:2].[CH:32](=O)[CH3:33]>>[C:1]([C:4]1[CH:5]=[C:6]([C:14]2[NH:15][C:16](=[O:31])[C:17]3[C:...
1
N1[C@H](CCC1)CO.BrC1=CC2=C(C=3N=C(SC3CCO2)C(=O)Cl)C=C1>N(C)(C)C=O.C(C)(C)NC(C)C>BrC1=CC2=C(C=3N=C(SC3CCO2)C(=O)N2[C@H](CCC2)CO)C=C1
3
FC1=C(COC2=CC(N(C(=C2)C)C2=C(C=CC(=C2)CO)C)=O)C=CC(=C1)F>>BrC=1C(N(C(=CC1OCC1=C(C=C(C=C1)F)F)C)C1=C(C=CC(=C1)CO)C)=O
5
FC=1C=C(N(C2CCN(CC2)C(=O)OC(C)(C)C)CC2=CC=C(C=C2)F)C=CC1>ClCCl.C(=O)(C(F)(F)F)O>FC1=CC=C(CN(C2CCNCC2)C2=CC(=CC=C2)F)C=C1
3
C[Si]([C:5]#[N:6])(C)C.[NH2:7][C:8]1[CH:13]=[CH:12][C:11]([CH2:14][C:15]([OH:17])=[O:16])=[CH:10][CH:9]=1.[C:18]1(=O)[CH2:21][CH2:20][CH2:19]1>O1CCOCC1>[C:5]([C:18]1([NH:7][C:8]2[CH:9]=[CH:10][C:11]([CH2:14][C:15]([OH:17])=[O:16])=[CH:12][CH:13]=2)[CH2:21][CH2:20][CH2:19]1)#[N:6]
1
C(C)OCC=1N(C2=C(C=NC=3C=CC=CC23)N1)CC1(CCN(CC1)C(=O)OC(C)(C)C)O>ClCCl.N.ClC=1C=C(C(=O)OO)C=CC1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>NC1=NC=2C=CC=CC2C2=C1N=C(N2CC2(CCN(CC2)C(=O)OC(C)(C)C)O)COCC
3
SC1=CC=C(C=C1)CO.[N+](=O)([O-])C=1C=CC(=NC1)SSC1=CC=C(C=C1)[N+](=O)[O-]>C1CCCO1.ClCCl>[N+](=O)([O-])C=1C=CC(=NC1)SSC1=CC=C(C=C1)CO
3
C(OC(=O)[NH:7][C:8]1[CH:9]=[C:10]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][C:23]=2[S:28]([CH2:31][CH2:32][OH:33])(=[O:30])=[O:29])[CH:11]=[CH:12][C:13]=1[NH:14]C(OC(C)(C)C)=O)(C)(C)C.Cl>O1CCOCC1>[NH2:7][C:8]1[CH:9]=[C:10]([C:22]2[C:23]([S:28]([CH2:31][CH2:32][OH:33])(=[O:30])=[O:29])=[CH:24][CH:25]=[CH:26][CH:27]=2)[CH:11...
1
ClC=1C=CC(=C(C1)C1=C(C=NN1COCC[Si](C)(C)C)NC(=O)C=1C=NN2C1N=CC=C2)OC(F)F>>ClC=1C=CC(=C(C1)C1=NNC=C1NC(=O)C=1C=NN2C1N=CC=C2)OC(F)F
5
Cl[C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH2:11][CH:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)=[C:4]([NH2:18])[N:3]=1.CC(C)([O-])C.[Na+].[CH3:25][CH:26]([CH3:29])[CH2:27][OH:28]>>[CH3:25][CH:26]([CH3:29])[CH2:27][O:28][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH2:11][CH:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:1...
1
[F:1][C:2]([F:31])([F:30])[C:3]1[CH:4]=[C:5]([CH:23]=[C:24]([C:26]([F:29])([F:28])[F:27])[CH:25]=1)[CH2:6][N:7]1[CH2:14][CH2:13][CH2:12][NH:11][C:10]2[N:15]=[C:16]([S:20][CH3:21])[N:17]=[C:18](Cl)[C:9]=2[C:8]1=[O:22].[F:32][C:33]1[CH:38]=[CH:37][C:36](OB(O)O)=[CH:35][CH:34]=1>>[F:1][C:2]([F:31])([F:30])[C:3]1[CH:4]=[C:...
1
ClC(=O)OC1=CC=CC=C1.C12CN(CC(CC1)O2)C2=NC=CC(=N2)C2=CC=C(N)C=C2>ClCCl.C(O)([O-])=O.[Na+]>C1(=CC=CC=C1)OC(NC1=CC=C(C=C1)C1=NC(=NC=C1)N1CC2CCC(C1)O2)=O
3
FC1=C(C=CC=C1F)C=1C(=NN2C1N=CC(=C2C(C)C)C(=O)OCC)N=C(C2=CC=CC=C2)C2=CC=CC=C2>C1CCCO1.Cl.C(C)(C)OC(C)C>NC1=NN2C(N=CC(=C2C(C)C)C(=O)OCC)=C1C1=C(C(=CC=C1)F)F
3
C(#N)C=1C=CC=C2C(=CN(C12)C(=O)OC(C)(C)C)B1OC(C(O1)(C)C)(C)C.IC=1N=C(C(=NC1)OCC1(CC1)OC1OCCCC1)C>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>CC1=C(N=CC(=N1)C1=CNC2=C(C=CC=C12)C#N)OCC1(CC1)OC1OCCCC1
3
NCCS(=O)(=O)O.FC1=C(C(=CC=C1)F)N1C(C=CC2=C1N=C(N=C2C2=C(C=C(C=C2)F)C)S(=O)(=O)C)=O>CCN(CC)CC.CN1CCCC1>FC1=C(C(=CC=C1)F)N1C(C=CC2=C1N=C(N=C2C2=C(C=C(C=C2)F)C)O)=O
3
[N:1]1[CH:6]=[CH:5][C:4]([CH2:7][CH2:8][S:9]([OH:12])(=[O:11])=[O:10])=[CH:3][CH:2]=1.N.[H][H].Cl[C:17]([O:19][CH2:20][C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)=[O:18]>O.[Rh]>[CH2:20]([O:19][C:17]([N:1]1[CH2:2][CH2:3][CH:4]([CH2:7][CH2:8][S:9]([OH:12])(=[O:10])=[O:11])[CH2:5][CH2:6]1)=[O:18])[C:21]1[CH:26]=[CH:25]...
2
CC1CCCO1.O.[C:8]1([S:14]([OH:17])(=[O:16])=[O:15])[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1>C(OC(C)C)(=O)C>[C:8]1([S:14]([OH:17])(=[O:16])=[O:15])[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1
1
C([O:3][C:4](=[O:35])[CH2:5][CH2:6][C:7]1[CH:12]=[CH:11][CH:10]=[C:9]([N:13]2[C:17]([NH:18][C:19]([C:21]3[C:30]4[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=4)[CH:24]=[CH:23][N:22]=3)=[O:20])=[CH:16][C:15]([C:31]([CH3:34])([CH3:33])[CH3:32])=[N:14]2)[CH:8]=1)C.[Li+].[OH-]>CO>[C:31]([C:15]1[CH:16]=[C:17]([NH:18][C:19]([C:21]2[...
2
[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]1[C:18]2[C:17]3[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=3[N:11]=[C:10]([NH2:19])[C:9]=2[N:8]=[C:7]1[CH2:20][CH2:21][CH2:22][CH3:23].[C:24]1([N:30]=[C:31]=[O:32])[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>>[NH2:19][C:10]1[C:9]2[N:8]=[C:7]([CH2:20][CH2:21][CH2:22][CH3:23])[N:6]([CH2:5][CH...
1
NC1=CC=NC=C1.COC=1C(C(=C(C(C1OC)=O)CC=1C=CC(=C(C(=O)O)C1)OC(C)=O)C)=O>>N1=CC=C(C=C1)NC(C1=C(C=CC(=C1)CC=1C(C(=C(C(C1C)=O)OC)OC)=O)O)=O
5
[Cl:1][C:2]1[CH:3]=[CH:4][C:5](=[O:8])[NH:6][N:7]=1.C([O-])([O-])=O.[K+].[K+].Br[CH2:16][CH2:17][O:18][C:19]1[C:28]2[C:23](=[CH:24][C:25]([O:29][CH3:30])=[CH:26][CH:27]=2)[N:22]=[CH:21][CH:20]=1.O>CN(C=O)C>[Cl:1][C:2]1[CH:3]=[CH:4][C:5](=[O:8])[N:6]([CH2:16][CH2:17][O:18][C:19]2[C:28]3[C:23](=[CH:24][C:25]([O:29][CH3:3...
1
Cl.C(C1=CC=CC=C1)N1C=NC=C1C(CCCCC1=CC=CC=C1)O>CCO[H].Cl.[HH].[Pd]C>OC(CCCCC1=CC=CC=C1)C=1N=CNC1
3
C(OC(CC)C=O)(=O)C.[C:10]([O:13][CH2:14][CH2:15][CH2:16][CH:17]=[O:18])(=[O:12])[CH3:11]>CO>[C:10]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][OH:18])(=[O:12])[CH3:11]
1
OCC1CN(CC12CN(C2)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(=O)C1CN(CC12CN(C2)C(=O)OC(C)(C)C)C(=O)OCC2=CC=CC=C2
3
C1(CCCC1)N1C(N(C2=C1C=CC(=C2)C(C(C=2C=C(C=CC2)C)NC(CCOC)=O)=O)C)=O.FC(C(=O)[O-])(F)F.[NH4+]>CO[H].C(C)(=O)OCC>C1(CCCC1)N1C(N(C2=C1C=CC(=C2)C=2NC(=NC2C=2C=C(C=CC2)C)CCOC)C)=O
3
C1(=CC=CC=C1)C(CNC1=C2N=CN(C2=NC(=N1)C#N)C1OCCCC1)C1=CC=CC=C1>CO[H].C[O-].[Na+].C(C)(=O)O>C1(=CC=CC=C1)C(CNC1=C2N=CN(C2=NC(=N1)C(=O)OC)C1OCCCC1)C1=CC=CC=C1
3
[OH-].[K+:2].[Br:3][C:4]1[N:5]([C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[C:17]([CH:24]3[CH2:26][CH2:25]3)=[CH:16][CH:15]=2)[C:6]([S:9][CH2:10][C:11]([OH:13])=[O:12])=[N:7][N:8]=1>C(O)C>[Br:3][C:4]1[N:5]([C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[C:17]([CH:24]3[CH2:26][CH2:25]3)=[CH:16][CH:15]=2...
1
C(C)(C)OC1=C(C(=O)N(C)OC)C=CC(=C1)C(F)(F)F>>C(C)(C)OC1=C(C=O)C=CC(=C1)C(F)(F)F
5
CC(C)(C1=CC=CC=C1)N.COC1=C(C=CC=C1)S(=O)(=O)Cl>ClCCl.CCN(CC)CC>COC1=C(C=CC=C1)S(=O)(=O)NC(C)(C1=CC=CC=C1)C
3
CC1(OC[C@@H](O1)C(=O)C1=NC(=CC=C1)C1=CC=C(C=C1)OC1=CC=C(C=C1)F)C>>FC1=CC=C(OC2=CC=C(C=C2)C2=CC=CC(=N2)C([C@@H](CO)O)=O)C=C1
5
C(C)OC1=C(C=C(C=C1C(C)C)[N+](=O)[O-])C(C1=C(C(=CC(=C1)[N+](=O)[O-])C(C)C)OCC)C1=C(C(=CC(=C1)[N+](=O)[O-])C(C)C)OCC>>C(C=1C(=C(C=C(N)C1)C(C)C)OCC)(C=1C(=C(C=C(N)C1)C(C)C)OCC)C=1C(=C(C=C(N)C1)C(C)C)OCC
5
Cl.CN.COC(C1=C(C=C(C=C1Cl)C(=O)O)Cl)=O>N(C)(C)C=O.ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>ClC1=C(C(=O)OC)C(=CC(=C1)C(NC)=O)Cl
3
FC1=NC=CC=C1.BrC=1C(=C(C(=NC1)OC(NCC(N1CCCC1)=O)=O)I)C#N>C1CCCO1.ClCCl.C([O-])([O-])=O.[K+].[K+].C(O)([O-])=O.[Na+].FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>BrC=1C(=C(C=2N(C1)C(=CN2)N2CCCC2)I)C#N
3
FC=1C(=NC(=NC1)C1=NN(C2=NC=C(C=C21)F)C(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)N[C@@H]2C[C@@H](CCC2)NC(=O)N2CCCC2>ClCCl.C(=O)(C(F)(F)F)O.C(C)[SiH](CC)CC>FC=1C(=NC(=NC1)C1=NNC2=NC=C(C=C21)F)N[C@@H]2C[C@@H](CCC2)NC(=O)C2CCCC2
3
BrCCC1=CC=CC=C1.C(C)(C)(C)OC(NC(CC1=CC2=CN(N=C2C(=C1)C)COCC[Si](C)(C)C)C=1NC=CN1)=O>>CC1=CC(=CC2=CN(N=C12)COCC[Si](C)(C)C)CC(C=1N(C=CN1)CCC1=CC=CC=C1)NC(OC(C)(C)C)=O
5
FC1=C(C=CC=C1)OB(O)O.BrC=1N(C=C2C1CCC2=O)S(=O)(=O)C2=CC(=CC=C2)Cl>>ClC=1C=C(C=CC1)S(=O)(=O)N1C(=C2C(=C1)C(CC2)=O)C2=C(C=CC=C2)F
5
CS(=O)(=O)Cl.C(C1=CC=CC=C1)N(C1C(CN(CC1)CCC1=CC=C(C=C1)F)CO)C>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)N([C@H]1[C@@H](CN(CC1)CCC1=CC=C(C=C1)F)COS(=O)(=O)C)C
3
[F:1][C:2]1[CH:14]=[CH:13][CH:12]=[CH:11][C:3]=1[CH:4]=[CH:5][C:6]([O:8][CH2:9][CH3:10])=[O:7].[H][H]>C(O)C.O.[Pt]=O>[F:1][C:2]1[CH:14]=[CH:13][CH:12]=[CH:11][C:3]=1[CH2:4][CH2:5][C:6]([O:8][CH2:9][CH3:10])=[O:7]
1
BrC1=C(C(=C(C(=O)OC)C=C1)C1(CC1)C#N)Cl>C1CCCO1.CO[H].[Na+].[BH4-].[Cl-].[NH4+].[Co](Cl)Cl>NCC1(CC1)C1=C(C(=O)OC)C=CC(=C1Cl)Br
3
CN(CC#C)C.BrC1=C(C=CC(=C1)F)[N+](=O)[O-]>>FC1=CC(=C(C=C1)C#CCN(C)C)[N+](=O)[O-]
5
[CH3:1][O:2][C:3](=[O:12])[CH2:4][NH:5][CH2:6][CH:7]1[CH2:11][CH2:10][CH2:9][CH2:8]1.CCN(CC)CC.[O:20](C(OC(C)(C)C)=O)[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=O>C(Cl)Cl>[CH3:1][O:2][C:3](=[O:12])[CH2:4][N:5]([C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:20])[CH2:6][CH:7]1[CH2:11][CH2:10][CH2:9][CH2:8]1
2
C(C1=CC=CC=C1)Br.O(C1=CC=CC=C1)C1=CC=NC=C1>[HH].CC(=O)C>O(C1=CC=CC=C1)C1CCNCC1
3
[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]2=[C:13]([CH:24]=1)[O:14][CH2:15][CH2:16][C:17]([C:19](OCC)=[O:20])=[CH:18]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[CH2:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]2=[C:13]([CH:24]=1)[O:14][CH2:15][CH2:16][C:17]([CH2:19][OH:20])=[CH:18]2)[C:2]1[...
2
BrC=1C=CC=C2C=CNC(C12)=O>[Cu]I.N.N1[C@H](C(=O)O)CCC1>NC=1C=CC=C2C=CNC(C12)=O
3
[C:1]([C:3]1[C@@H:8]([C:9]2[CH:14]=[CH:13][C:12]([C:15]#[N:16])=[CH:11][C:10]=2[S:17]([CH3:20])(=[O:19])=[O:18])[N:7]([C:21](OC2C=CC([N+]([O-])=O)=CC=2)=[O:22])[C:6](=[O:33])[N:5]([C:34]2[CH:39]=[CH:38][CH:37]=[C:36]([C:40]([F:43])([F:42])[F:41])[CH:35]=2)[C:4]=1[CH3:44])#[N:2].[NH:45]1[CH2:49][CH2:48][CH:47]([OH:50])[...
1
Cl[C:2]1[C:11]2[CH:12]=[CH:13][S:14][C:10]=2[C:9]2[CH:8]=[CH:7][CH:6]=[C:5]([C:15]3[NH:19][CH:18]=[N:17][N:16]=3)[C:4]=2[N:3]=1.[F:20][C:21]1[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=1[NH2:23].CN1C(=O)CCC1>O>[F:20][C:21]1[CH:27]=[CH:26][CH:25]=[CH:24][C:22]=1[NH:23][C:2]1[C:11]2[CH:12]=[CH:13][S:14][C:10]=2[C:9]2[CH:8]=[CH:...
2
[CH2:1]([C:3]1([CH2:25]C)[C:7](=[O:8])[O:6][CH:5]([CH2:9][CH2:10][N:11]2[CH2:16][CH2:15][N:14]([C:17]3[CH:24]=[CH:23][CH:22]=[CH:21][C:18]=3[C:19]#[N:20])[CH2:13][CH2:12]2)[CH2:4]1)C.N1(C2C=CC=CC=2C#N)CCNCC1.CC1C=CC(S(OCCC2CC(C)(C)C(=O)O2)(=O)=O)=CC=1.CC1C=CC(S(OCCC2CC(CC)(CC)C(=O)O2)(=O)=O)=CC=1>>[CH3:1][C:3]1([CH3:25...
2
FC=1C=C(C=CC1CC=1C(N(C=2N(C1CCC)N=CN2)[C@@H]2CC[C@H](CC2)O)=O)C=2C(=CC=CC2)C#N.C(C)OC(C(CC)=[N+]=[N-])=O>C1(=CC=CC=C1)C.C(C)(=O)[O-].[Rh+3].C(C)(=O)[O-].C(C)(=O)[O-]>C(#N)C1=C(C=CC=C1)C1=CC(=C(C=C1)CC=1C(N(C=2N(C1CCC)N=CN2)[C@@H]2CC[C@H](CC2)OC(C(=O)OCC)CC)=O)F
3
C(C=C)Br.C(C1=CC=CC=C1)OC[C@@H](C)O>>C(C=C)O[C@@H](COCC1=CC=CC=C1)C
5
[N:1]1([C:7]2[CH:8]=[C:9]([OH:14])[CH:10]=[C:11](O)[CH:12]=2)[CH2:6][CH2:5][O:4][CH2:3][CH2:2]1.CC1C=CC(S(O)(=O)=O)=CC=1.O.C[O:28][C:29](=O)[C:30]1[CH:35]=[CH:34][CH:33]=[N:32][C:31]=1[NH2:36]>C(O)CCCCC>[OH:14][C:9]1[C:10]2[C:29](=[O:28])[C:30]3[CH:35]=[CH:34][CH:33]=[N:32][C:31]=3[NH:36][C:11]=2[CH:12]=[C:7]([N:1]2[CH...
1
[F:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[C:10]3[N:17]([CH3:18])[CH:16]=[CH:15][C:11]=3[N:12]=[CH:13][N:14]=2)[CH:5]=[CH:4][C:3]=1[NH:19][C:20]([NH:22][C:23]1[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([F:32])([F:31])[F:30])[CH:24]=1)=[O:21].[C:33]([OH:40])(=[O:39])/[CH:34]=[CH:35]\[C:36]([OH:38])=[O:37]>C(O)C>[C:33]([OH:40])(=[O:3...
2
[Br:1][CH2:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([Cl:11])=[CH:7][CH:6]=1)=[O:4].O[CH2:13][CH:14]([OH:21])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C1(C)C=CC(S(O)(=O)=O)=CC=1.C1C=CC=CC=1>C(O)C>[Br:1][CH2:2][C:3]1([C:5]2[CH:10]=[CH:9][C:8]([Cl:11])=[CH:7][CH:6]=2)[O:21][CH:14]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16...
1
S1C(=CC=C1)CO.ClC1=NC(=CC=C1)Cl>>ClC1=NC(=CC=C1)OCC=1SC=CC1
5
ClC1=C(C=C(C=C1)C1=C(N=C(S1)N)C)S(=O)(=O)C.C(C)(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)O>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.CN1CCOCC1.CCN=C=NCCCN(C)C>C(C)(C)(C)OC(NCCOCCOCCOCCOCCC(NC=1SC(=C(N1)C)C1=CC(=C(C=C1)Cl)S(=O)(=O)C)=O)=O
3
BrC(C(=O)OCC)(F)F.FC1=CC=C(C(=C1[Si](C)(C)C)OC(F)(F)F)I>>FC(C(=O)OCC)(C1=C(C=C(C=C1)F)OC(F)(F)F)F
5
Br[C:2]1[C:10]2[N:9]3[CH2:11][CH2:12][NH:13][C:14](=[O:15])[C:8]3=[C:7]([CH3:16])[C:6]=2[CH:5]=[C:4]([C:17]#[N:18])[CH:3]=1.[N:19]1[CH:24]=[CH:23][C:22](B(O)O)=[CH:21][CH:20]=1>>[CH3:16][C:7]1[C:6]2[CH:5]=[C:4]([C:17]#[N:18])[CH:3]=[C:2]([C:22]3[CH:23]=[CH:24][N:19]=[CH:20][CH:21]=3)[C:10]=2[N:9]2[CH2:11][CH2:12][NH:13...
1
I/C=C/C1C=CC=CC=1.COC(=O)[C@@H](NC(=O)[C:22]1[CH:27]=[CH:26][C:25]([C:28]#[C:29]/[CH:30]=[CH:31]/[C:32]2[CH:37]=[CH:36][C:35]([CH2:38][OH:39])=[CH:34][CH:33]=2)=[CH:24][CH:23]=1)CNC(=O)CBr.CCN(CC)CC.C1C[O:52][CH2:51]C1>CCOC(C)=O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=...
2
CB1OB(OB(O1)C)C.BrC1=CN=C(S1)OC1=C(C(=CC=C1)F)C1=CC(=NO1)C(F)F>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC(C1=NOC(=C1)C1=C(C=CC=C1OC=1SC(=CN1)C)F)F
3
NC1=NNC(=C1)C.FC1=C(C#N)C=C(C(=N1)F)F>>FC1=C(C#N)C=C(C(=N1)NC1=NNC(=C1)C)F
5
[BH4-].[Na+].[CH2:3]([C:5]1[CH:10]=[C:9]([C:11](OCC)=[O:12])[CH:8]=[CH:7][N:6]=1)[CH3:4]>C(O)C.ClCCl>[CH2:3]([C:5]1[CH:10]=[C:9]([CH2:11][OH:12])[CH:8]=[CH:7][N:6]=1)[CH3:4]
1
C[O:2][C:3]([C:5]1[S:9][C:8]2[C:10](Br)=[CH:11][CH:12]=[C:13]([O:14][CH3:15])[C:7]=2[CH:6]=1)=[O:4].C([O-])([O-])=O.[K+].[K+].[C:23]1(B(O)O)[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.Cl[Pd]Cl>[CH3:15][O:14][C...
1
C(C)(C)(C)OC(=O)N1[C@H]2CN(C[C@@H]1CC2)C=2C(=C(C(=O)O)C=CC2)NC>C1(=CC=CC=C1)C.O.C(C)(C)N(C(C)C)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C)(C)(C)OC(=O)N1[C@H]2CN(C[C@@H]1CC2)C2=CC=CC=1NC(N(C12)C)=O
3
C(C1=CC=CC=C1)OC(CN(CC1=CC=C(C=C1)OC)C(C(C(CCCCl)=O)CCCl)=O)=O>[HH].[Pd]>ClCCCC(C(C(=O)N(CC(=O)O)CC1=CC=C(C=C1)OC)CCCl)=O
3
ClC(=O)OCC1=CC=CC=C1.N1=CC(=CC=C1)CO>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)OC(=O)N1CC(CCC1)CO
3
COC=1C=C2C=CC(=CC2=CC1)C=1N=C(SC1)C1=CC=CC=C1>>C1(=CC=CC=C1)C=1SC=C(N1)C=1C=C2C=CC(=CC2=CC1)O
5
[O:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([N:10]2[CH2:15][CH2:14][N:13]([CH2:16][CH:17]([C:19]3[CH:20]=[C:21]4[C:25](=[CH:26][CH:27]=3)[C:24]([CH3:29])([CH3:28])[CH:23]([OH:30])[C:22]4([CH3:32])[CH3:31])Cl)[CH2:12][CH2:11]2)=[N:2]1.C([SnH](CCCC)CCCC)CCC.CC(N=NC(C#N)(C)C)(C#N)C>C1(C)C=CC=CC=1>[O:1]1[C:5]2[CH:6]...
2
[CH3:1][O:2][CH:3]([O:9][CH3:10])[CH2:4][O:5][CH2:6][CH2:7][OH:8].C(N(CC)CC)C.[Br:18][C:19]([CH3:24])([CH3:23])[C:20](Br)=[O:21]>C(Cl)Cl>[CH3:1][O:2][CH:3]([O:9][CH3:10])[CH2:4][O:5][CH2:6][CH2:7][O:8][C:20](=[O:21])[C:19]([Br:18])([CH3:24])[CH3:23]
1
ClC=1C=C(N(C1C)CCC(C)N1C(C2=CC=CC=C2C1=O)=O)C#N>>NC(CCN1C(=CC(=C1C)Cl)C#N)C
5
C([O:4][C:5]1[CH:14]=[C:13]2[C:8]([C:9](=[O:26])[C:10]([CH3:25])=[C:11]([CH:15]3[CH2:20][CH2:19][N:18]([C:21](=[O:24])[CH2:22][CH3:23])[CH2:17][CH2:16]3)[O:12]2)=[CH:7][CH:6]=1)C=C.Cl.CN(C)[C:30]1[CH:35]=CC=C[CH:31]=1>>[CH2:35]([C:14]1[C:5]([OH:4])=[CH:6][CH:7]=[C:8]2[C:13]=1[O:12][C:11]([CH:15]1[CH2:20][CH2:19][N:18](...
1
N1C(CC2=CC=CC=C12)=O.C(=O)C1=CC(=CO1)C=1C=C(C(=O)OC)C=CC1>CCO[H].N1CCCCC1>C(C1=CC=CC=C1)(=O)O
3
Cl.C(C)N(CCCN=C=NCC)CC.FC(C(C(=O)O)=C)(F)F.ClC=1C=C(C=C(C1)Cl)C1(CC(=NO1)C=1C=CC(=C(N)C1)C)C(F)(F)F>>ClC=1C=C(C=C(C1)Cl)C1(CC(=NO1)C=1C=CC(=C(C1)NC(C(=C)C(F)(F)F)=O)C)C(F)(F)F
5
C(C(C)(C)C)(=O)OCCl.C(C(C)C)N(C1=C(C=C(C=C1)[C@H](CC(=O)OCOP(=O)(O)O)CC)NC(=O)NC1=CC=C(C=C1)C)CC(C)C>N(C)(C)C=O.[I-].[Na+].C(C)(C)N(C(C)C)CC>C(C(C)C)N(C1=C(C=C(C=C1)[C@H](CC(=O)OCOP(=O)(OCOC(C(C)(C)C)=O)O)CC)NC(=O)NC1=CC=C(C=C1)C)CC(C)C
3
C1(CCCCC1)O.OC=1C=NC2=CC(=C(C=C2C1)OC)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>C1(CCCCC1)OC=1C=NC2=CC(=C(C=C2C1)OC)OC
3
Cl.Cl.Cl.NC1=NC=NN2C1=C(C(=C2CN2CCNCC2)CN2CC(NCC2)=O)C=2SC1=C(C2)C=C(C=C1OC)C>>C(C)(=O)N1CCN(CC1)CC1=C(C(=C2C(=NC=NN21)N)C=2SC1=C(C2)C=C(C=C1OC)C)CN1CC(NCC1)=O
5
C([Li])CCC.Br[C:7]1[N:12]=[C:11]2[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:10]2=[CH:9][C:8]=1[CH3:18].[CH:19]1[C:24]([CH:25]=[O:26])=[CH:23][CH:22]=[C:21]([C:27]([F:30])([F:29])[F:28])[CH:20]=1.O>CCCCCC.C1(C)C=CC=CC=1>[F:28][C:27]([F:29])([F:30])[C:21]1[CH:20]=[CH:19][C:24]([CH:25]([C:7]2[N:12]=[C:11]3[CH2:13][CH2:14]...
1
[F:1][C:2]([F:36])([F:35])[C:3]1[CH:4]=[N:5][N:6]([C:8]2[CH:13]=[CH:12][C:11]([NH:14][CH:15]([C:19]3[CH:34]=[CH:33][C:22]([C:23]([NH:25][CH:26]=[CH:27][C:28]([O:30]CC)=[O:29])=[O:24])=[CH:21][CH:20]=3)[CH2:16][CH2:17][CH3:18])=[CH:10][CH:9]=2)[CH:7]=1.O1CCCC1.[OH-].[Li+]>CO>[F:35][C:2]([F:1])([F:36])[C:3]1[CH:4]=[N:5][...
1
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[C:12]([S:14]([CH3:17])(=[O:16])=[O:15])[CH:11]=[C:10]([C:18]([OH:20])=O)[CH:9]=2)=[CH:4][CH:3]=1.[CH3:21][C:22]1[N:27]=[CH:26][C:25]([C@H:28]([NH2:30])[CH3:29])=[CH:24][N:23]=1.F[P-](F)(F)(F)(F)F.C[N+](C)=C(N(C)C)ON1C2N=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C>CN(C)C=O.CCOC(C)=O>[CH3...
1
[C:1]1([CH:7]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH2:8][CH2:9][O:10][C:11]([C:13]2[CH:18]([C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([Cl:25])[CH:20]=3)[C:17]([C:26](O)=[O:27])=[C:16]([CH3:29])[NH:15][C:14]=2[CH3:30])=[O:12])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[NH:37]1[CH2:43][CH2:42][CH2:41][NH:40][CH2:39][CH2:38...
1
N([C@@H](C(C)(C)C)C(=O)O)C(=O)OC(C)(C)C.C1(=CC=C(C=C1)[C@@]1(C[C@H](NC1)C(=O)OC)SC)C1=CC=CC=C1>ClCCl.C(=O)(C(F)(F)F)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>C1(=CC=C(C=C1)[C@@]1(C[C@H](N(C1)C([C@H](C(C)(C)C)NC(=O)OC(C)(C)C)=O)C(=O)OC)SC)C1=CC=CC=C1
3
COC(=O)[C@H]1N(CC[C@H](C1)O)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.O[C@H]1C[C@H](NCC1)C(=O)OC
3
C(C1=CC=CC=C1)(=O)O>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1>O=C(CC(=O)OCC)C1=CC=CC=C1.N1C=NC=C1
3
[C:1]([O:5][C:6](=[O:22])[N:7]([CH2:15][C:16]1[S:20][C:19](Cl)=[N:18][CH:17]=1)[C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=1)([CH3:4])([CH3:3])[CH3:2].C(O[CH2:27][CH3:28])(=O)C>N1CCCCC1>[C:1]([O:5][C:6](=[O:22])[N:7]([C:8]1[CH:13]=[CH:12][C:11]([F:14])=[CH:10][CH:9]=1)[CH2:15][C:16]1[S:20][C:19]([N:7]2[CH2:28][CH...
2
[CH2:1]([O:8][C:9](=[O:33])[C@@H:10]([NH:20][C:21](=[O:32])[C@@H:22]([NH:24][C:25]([O:27]C(C)(C)C)=O)[CH3:23])[CH2:11][C:12]1[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.FC(F)(F)C(O)=O.[CH3:41][N:42]1[C:46]([CH2:47][CH2:48]C(O)=O)=[CH:45][CH:44]=[N:43]1.C(N(CC)C(C)C)(C...
2
O(C1=CC=CC=C1)C1=CC=C(C=C1)B(O)O.COC([C@H](CC1=CC=C(C=C1)Br)NC(C1=CC=C(C=C1)NCC1=CC=CC2=CC=CC=C12)=O)=O>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC([C@H](CC1=CC=C(C=C1)C1=CC=C(C=C1)O...
3
BrCC(=O)OCC.C(CCCCC)N1C(C(C2=CC=CC=C12)C1=CC2=C(OCO2)C=C1O)=O>>C(C)OC(CC1(C(N(C2=CC=CC=C12)CCCCCC)=O)C1=CC2=C(OCO2)C=C1O)=O
5
FC1=C(C=C(C=C1)OC)C1=NC=C(C(=O)OC)C=C1OCC(C)C>C(C)OCC.[H-].[Al+3].[Li+].[H-].[H-].[H-]>FC1=C(C=C(C=C1)OC)C1=C(C=C(C=N1)CO)OCC(C)C
3
[Cl:1][C:2]1[CH:3]=[C:4]([C@@H:9]([OH:23])[C@@H:10]([NH:12][C:13](=[O:22])OCC2C=CC=CC=2)[CH3:11])[CH:5]=[CH:6][C:7]=1[F:8].C[Si]([N-][Si](C)(C)C)(C)C.[Na+].Br[CH2:35][C:36]1[CH:41]=[C:40]([C:42]([F:45])([F:44])[F:43])[CH:39]=[CH:38][C:37]=1[C:46]1[CH:47]=[C:48]([C:54]2[CH:59]=[CH:58][C:57]([C:60]([O:62]C)=[O:61])=[CH:5...
1
C1(CC1)N.ClC1=C(C(=O)OC)C(=CC(=N1)Cl)CC=O>CO[H].[OH-].[Na+].C(C)(C)O.C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC=1N=C(C=C2CCN(C(C12)=O)C1CC1)OC
3
C(C)(C)C1=C(C(=CC(=C1)C(C)C)C(C)C)S(=O)(=O)N=[N+]=[N-].FC=1C=C(C=C(C1)F)[C@@H](CC(=O)N1C(OC[C@@H]1C1=CC=CC=C1)=O)C1=CC=C(C=C1)F>>N(=[N+]=[N-])[C@H](C(=O)N1C(OC[C@@H]1C1=CC=CC=C1)=O)[C@@H](C1=CC=C(C=C1)F)C1=CC(=CC(=C1)F)F
5
CC1=C(C=CC=C1)B(O)O.BrC1=C(C=C(C=C1)OC)F>>COC1=CC(=C(C=C1)C1=C(C=CC=C1)C)F
5
C1(=CC=CC=C1)C1(CCCCC1)C(=O)O.C(C)(C)N(CCO)C(C)C>ClS(Cl)=O>Cl.C1(=CC=CC=C1)C1(CCCCC1)C(=O)OCCN(C(C)C)C(C)C
3
COC1=CC=C(CCl)C=C1.C1(CC1)CNC(=O)C1=NC(=C2NC(N(C2=N1)CC1=CC=CC=C1)=O)N>>NC1=C2NC(N(C2=NC(=N1)C(=O)NCC1CC1)CC1=CC=CC=C1)CC1=CC=C(C=C1)OC
5
C([O:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[N:11]=[CH:10][N:9]=[C:8]2[NH:15][C:16]1[CH:21]=[CH:20][C:19]([F:22])=[C:18]([Cl:23])[CH:17]=1)(=O)C.O.[OH-].[Li+].O.C(O)(=O)C>CO>[Cl:23][C:18]1[CH:17]=[C:16]([NH:15][C:8]2[C:7]3[C:12](=[CH:13][CH:14]=[C:5]([OH:4])[CH:6]=3)[N:11]=[CH:10][N:9]=2)[CH:21]=[CH:20][C:19]=1[...
2