Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(C)(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C1=C(C=CC=C1)NC=1C=C2N=CC=NC2=C(C1)C1=CC=C2C=CN(C2=C1)C>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.CN1C=CC2=CC=C(C=C12)C=1C=C(C=C2N=CC=NC12)NC1=C(C=CC=C1)S(=O)(=O)N1CCNCC1
3
C(C1=CC=CC=C1)OC(=O)C=1[C@@H]2[C@@H]([C@@H](OC1)OC(NC)=O)[C@@]1([C@H](C2)O1)C>[HH].[Pd]C>C[C@]12[C@H](C[C@H]3[C@H]1[C@@H](OC=C3C(=O)O)OC(NC)=O)O2
3
[NH2:1][CH:2](C(OCC1C=CC=CC=1)=O)[CH2:3][O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][C:16](=[O:26])[NH:17][NH:18][C:19]([O:21][C:22]([CH3:25])([CH3:24])[CH3:23])=[O:20]>CO.[Pd]>[NH2:1][CH2:2][CH2:3][O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH2:11][CH2:12][O:13][CH2:14][CH2:15][C...
2
C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N1C[C@@H](C[C@@H](C1)C(NCC1(C2=CC=CC=C2OC=2C=CC=CC12)CCCCOC)=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O>CO[H].[Na+].[BH4-]>C(C)(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)C(NCC1(C2=CC=CC=C2OC=2C=CC=CC12)CCCCOC)=O)NS(=O)(=O)C1=CC=C(C=C1)CO
3
Cl[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[C:4]([CH2:11][CH2:12][CH3:13])[CH:3]=1.CC1(C)C(C)(C)OB([C:22]2[CH2:23][CH2:24][N:25]([C:28]([O:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:29])[CH2:26][CH:27]=2)O1.C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1.O.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)...
1
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.CS(=O)(=O)C1=NC=CC(=C1)[C@H](CC)N>C1CCCO1.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(N[C@@H](CC)C1=CC(=NC=C1)S(=O)(=O)C)=O
3
CS(=O)(=O)Cl.CC1=C(C(=CC(=C1)OC1CCNCC1)C)C1=CC(=CC=C1)COC1=CC2=C([C@@H](CO2)CC(=O)OC)C=C1>>CC1=C(C(=CC(=C1)OC1CCN(CC1)S(=O)(=O)C)C)C1=CC(=CC=C1)COC1=CC2=C([C@@H](CO2)CC(=O)OC)C=C1
5
ClC=1C(=C(C(=C(C1)F)C1=NN(C(=C1Cl)OC(F)F)C)N)OC>C(=O)O>ClC=1C(=C(C(=C(C1)F)C1=NN(C(=C1Cl)OC(F)F)C)NC=O)OC
3
[C@H]1(CCCC2=CC=CC=C12)N.ClC1=NC=C(C=N1)I.C1(CCCCC1)C(CN)C1CCCCC1>CN1C(CCC1)=O>IC=1C=NC(=NC1)N[C@@H]1CCCC2=CC=CC=C12
3
C(C)(C)(C)OC(NC[C@@H](CNC=1C=C2CC(N(C2=C(C1)F)C)=O)O)=O>>C(C)(C)(C)OC(NC[C@H]1CN(C(O1)=O)C=1C=C2CC(N(C2=C(C1)F)C)=O)=O
5
ClC1=C(C(=CC=2N=C(SC21)N)OC)I>C1CCCO1.CS(=O)C.N(=O)OC(C)(C)C>ClC1=C(C(=CC=2N=CSC21)OC)I
3
BrCC(=O)OC(C)(C)C.C(C1=CC=CC=C1)NCCO>O.C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N(CC(=O)OC(C)(C)C)CCO
3
C(C)(C)(C)OC(=O)NC1=C(C=C(C=C1)C1=CN=C(S1)C)NC(=O)C1=CC=C(C=C1)S(=NC(OC(C)(C)C)=O)(=O)C>ClCCl.C(=O)(C(F)(F)F)O>NC1=C(C=C(C=C1)C1=CN=C(S1)C)NC(C1=CC=C(C=C1)S(=O)(=N)C)=O
3
N1C=CC=CC=1.Cl.[CH3:8][NH:9][O:10][CH3:11].[C:12](Cl)(=[O:16])[CH2:13][CH2:14][CH3:15]>C(Cl)Cl.O>[CH3:11][O:10][N:9]([CH3:8])[C:12](=[O:16])[CH2:13][CH2:14][CH3:15]
1
COC1=CC=C2C=C(C=NC2=C1)CO.COC1=CC=C2C=C(C=NC2=C1)C=O>ClCCl.ClS(Cl)=O>Cl.ClCC=1C=NC2=CC(=CC=C2C1)OC
3
C(=O)C1=C(C=CC=C1)B(O)O.C(C)OC(=O)C1=NN(C=2C(N(CCC21)C2=CC=C(C=C2)I)=O)C2=CC=C(C=C2)OC>>C(C)OC(=O)C1=NN(C=2C(N(CCC21)C2=CC=C(C=C2)C2=C(C=CC=C2)C=O)=O)C2=CC=C(C=C2)OC
5
[OH:1][C:2]1[CH:7]=[C:6]([CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[O:5][C:4](=[O:13])[C:3]=1[C:14](=[O:17])[CH2:15][CH3:16].[Na].C([O-])(O)=O.[Na+]>C(Cl)Cl.N1C=CC=CC=1>[OH:1][C:2]1[CH:7]=[C:6]([CH2:8][CH2:9][CH2:10][CH:11]=[O:12])[O:5][C:4](=[O:13])[C:3]=1[C:14](=[O:17])[CH2:15][CH3:16]
1
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([CH3:9])=[C:5]([F:10])[CH:4]=1)#[N:2].CC(N=NC(C#N)(C)C)(C#N)C.[Br:23]N1C(=O)CCC1=O>ClCCCl>[Br:23][CH2:9][C:6]1[CH:7]=[CH:8][C:3]([C:1]#[N:2])=[CH:4][C:5]=1[F:10]
1
[OH:1][CH2:2][C:3]1[N:8]=[C:7]([O:9][CH:10]2[CH2:15][CH2:14][N:13]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:12][CH2:11]2)[CH:6]=[CH:5][CH:4]=1.[CH3:23][S:24](Cl)(=[O:26])=[O:25].CCN(C(C)C)C(C)C>C(Cl)Cl>[CH3:23][S:24]([O:1][CH2:2][C:3]1[N:8]=[C:7]([O:9][CH:10]2[CH2:11][CH2:12][N:13]([C:16]([O:18][C:1...
1
C(C1=CC=CC=C1)OC1=CC=C(C=C1)N1N=C2C=CC(=CC2=C1)OC>C1CCCO1.CO[H].[HH].[Pd]>COC1=CC2=CN(N=C2C=C1)C1=CC=C(C=C1)O
3
[CH2:1]([O:3][C:4](=[O:12])[C:5]1[CH:10]=[CH:9][C:8]([I:11])=[CH:7][CH:6]=1)[CH3:2].[N+:13]([O-])([OH:15])=[O:14]>OS(O)(=O)=O>[I:11][C:8]1[CH:9]=[CH:10][C:5]([C:4]([O:3][CH2:1][CH3:2])=[O:12])=[CH:6][C:7]=1[N+:13]([O-:15])=[O:14]
1
CC1([C@@H](COC1)NC=1C=C(C(=O)OC)C=CC1[N+](=O)[O-])C>C(C)(=O)OCC.[Pd]>NC1=C(C=C(C(=O)OC)C=C1)N[C@@H]1COCC1(C)C
3
[CH3:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([CH3:10])[C:3]=1[CH2:4][OH:5].N(C(OC(C)C)=O)=NC(OC(C)C)=O.O[C:26]1[CH:27]=[C:28]([CH2:32][C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH:29]=[CH:30][CH:31]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C1COCC1.CCOCC>[CH3:1][C:2]1[CH:9]=[CH:8][CH:7]=[C:6]([CH3:10])[C:3]=1[CH2:4][O:5][C:30]1[C...
1
Cl.CON.FC(C1=CC=C(C=C1)C(C)=O)(F)F>c1ccncc1>FC(C1=CC=C(C=C1)C(C)=NO)(F)F
3
[OH:1][CH:2]1[CH2:7][CH2:6][CH:5]([C:8]([OH:10])=[O:9])[CH2:4][CH2:3]1.[CH3:11][Si](C=[N+]=[N-])(C)C.CCCCCC>C1(C)C=CC=CC=1.CO>[OH:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([O:10][CH3:11])=[O:9])[CH2:4][CH2:3]1
2
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:10]1[NH:15][C:14](=[O:16])[N:13]2[C:17]([CH3:23])=[N:18][C:19]([CH2:20][CH2:21][CH3:22])=[C:12]2[N:11]=1)[CH3:2].[Cl:24][S:25](O)(=[O:27])=[O:26]>ClCCl>[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][C:7]([S:25]([Cl:24])(=[O:27])=[O:26])=[CH:6][C:5]=1[C:10]1[NH:15][C:14](=[O:16])...
1
BrC=1C=C(C(=NC1)C=1CCOCC1)[N+](=O)[O-]>>BrC=1C=C(C(=NC1)C=1CCOCC1)N
5
C1(=CC=CC=C1)C(O)(C1CCNCC1)C1=CC=CC=C1.ClC1=CC=C(C=C1)CCBr>CC#N.CCN(CC)CC>ClC1=CC=C(CCN2CCC(CC2)C(O)(C2=CC=CC=C2)C2=CC=CC=C2)C=C1
3
CN(CCNC)C.FC1=CC(=C(C=C1[N+](=O)[O-])NC1=NC=C(C(=N1)C1=CNC2=CC(=CC=C12)OC)C(F)(F)F)OC>N(C)(C)C=O.CCN(CC)CC>CN(CCN(C1=C(C=C(C(=C1)OC)NC1=NC=C(C(=N1)C1=CNC2=CC(=CC=C12)OC)C(F)(F)F)[N+](=O)[O-])C)C
3
ICCC(C)C.ClC1=C(OC=2C=C(C=CC2)O)C=CC(=C1)[N+](=O)[O-]>>ClC=1C=C(N)C=CC1OC1=CC(=CC=C1)OCCC(C)C
5
N#CBr.C1CC2=CC=C(C3=CC=CC1=C23)N>>C1CC2=CC=C(C3=CC=CC1=C23)NC#N
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC(=C(N)C=C1)C(C)(C)C>C1(=CC=CC=C1)C>BrC1=CC(=C(C=C1)NC(OC(C)(C)C)=O)C(C)(C)C
3
C(C)(=O)OC(C)=O.FC(C=1C=C(C=C(C1)C(F)(F)F)C(C1=C(C=CC=C1)N)=O)(F)F>C1(=CC=CC=C1)C.CC(C)(C)[O-].[K+]>FC(C=1C=C(C=C(C1)C(F)(F)F)C1=CC(NC2=CC=CC=C12)=O)(F)F
3
C(O)C.[CH2:4]1[CH2:9][CH:8]([C:10]([OH:12])=[O:11])[NH:7][CH2:6][CH2:5]1.C(O)(=O)[C@H]([C@@H](C(O)=O)O)O>O>[CH2:4]1[CH2:9][C@@H:8]([C:10]([OH:12])=[O:11])[NH:7][CH2:6][CH2:5]1
1
FC=1C=C(C=CC1SC)C1=C(SC=C1C1=CC=CC=C1)C(=O)OC>CO[H].ClCCl.O.O.O.O.O.O.C(C=1C(C(=O)[O-])=CC=CC1)(=O)O[O-].[Mg+2]>CCCCCC.CCCC(C)C.CCC(C)CC.FC=1C=C(C=CC1S(=O)(=O)C)C1=C(SC=C1C1=CC=CC=C1)C(=O)OC
3
[CH:1]1([NH:7][C:8](=S)[NH2:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C1(S(N)(=O)=[O:18])C=CC=CC=1.C1(N=C=S)CCCCC1.OO>C(=O)([O-])[O-].[K+].[K+].CO.[OH-].[Na+]>[CH:1]1([NH:7][C:8](=[O:18])[NH2:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
1
CN(C1=C(C(=O)O)C=CC(=C1)C)C.NC1=CC=C(C=C1)N(C(OC(C)(C)C)=O)CCN1N=CC=C1>N(C)(C)C=O.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>CN(C1=C(C(=O)NC2=CC=C(C=C2)N(C(OC(C)(C)C)=O)CCN2N=CC=C2)C=CC(=C1)C)C
3
C(Cl)(=O)C.[NH:5]1[CH2:10][CH:9]=[C:8]([C:11]2[CH:12]=[CH:13][C:14]([NH:17][C:18]([N:20]3[CH2:28][C:27]4[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH2:21]3)=[O:19])=[N:15][CH:16]=2)[CH2:7][CH2:6]1.NC1C=C2C(=CC=1)CN(C(NC1C=C[C:45]([C:48](=[O:53])NCCC)=[CH:44][CH:43]=1)=O)C2>>[C:48]([N:5]1[CH2:6][CH:7]=[C:8]([C:11]2[CH:16]...
1
Br[CH2:2][CH2:3][CH2:4][Si:5]([O:10][CH3:11])([O:8][CH3:9])[O:6][CH3:7].[CH2:12]([NH:30]C)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29].[O-][CH2:33]C.[Na+]>C(O)C>[CH3:33][CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH...
1
COC1=CC=C(C=C1)B(O)O.FC(S(=O)(=O)OC=1N=C(C2=CC(=C(C=C2C1)OC)OC)C)(F)F>>COC=1C=C2C=C(N=C(C2=CC1OC)C)C1=CC=C(C=C1)OC
5
[Br:1][C:2]1[CH:3]=[CH:4][C:5](=[O:13])[N:6]([CH:8]([CH3:12])[C:9](O)=[O:10])[CH:7]=1.CSC.B>C1COCC1>[Br:1][C:2]1[CH:3]=[CH:4][C:5](=[O:13])[N:6]([CH:8]([CH3:12])[CH2:9][OH:10])[CH:7]=1
1
CC1=NC=C(C=N1)C=O.Cl.C[C@H]1[C@@H](CNC1)C=1NC(C2=C(N1)N(N=C2)C2CCOCC2)=O>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C[C@H]1[C@@H](CN(C1)CC=1C=NC(=NC1)C)C=1NC(C2=C(N1)N(N=C2)C2CCOCC2)=O
3
FC(C1=NC=C(C=N1)C1=CN=C(S1)C(=O)OC(C)(C)C)(F)F>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.FC(C1=NC=C(C=N1)C1=CN=C(S1)C(=O)O)(F)F
3
C(C)(=O)OC=1C(=C2CCC(OC2=C(C1C)C)(C)CC(=O)O)C>[HH].C1=CC=CC=C1.C(C(=O)Cl)(=O)Cl>C(C)(=O)OC=1C(=C2CCC(OC2=C(C1C)C)(C)CC(=O)Cl)C
3
BrC1=CC(=C(C(=C1)F)F)F.COC(=O)[C@@H]1N(C(CCC1)=O)C(=O)OC(C)(C)C>C1CCCO1.[Mg].FC=1C=C(C=C(C1F)F)[Mg]Br>FC=1C=C(C=C(C1F)F)[C@@H]1CCC[C@@H](N1)C(=O)OC
3
NC1=CC=CC=C1.ClC1=NC2=C(C=CC=C2N=C1)Cl>>ClC=1C=CC=C2N=CC(=NC12)NC1=CC=CC=C1
5
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([S:9](Cl)(=[O:11])=[O:10])=[CH:5][N:4]=1.C(N(CC)CC)C.[CH3:20][O:21][C:22]1[CH:23]=[C:24]([OH:32])[CH:25]=[C:26]([O:30][CH3:31])[C:27]=1[O:28][CH3:29]>ClCCl.C(OCC)(=O)C>[CH3:1][O:2][C:3]1[N:4]=[CH:5][C:6]([S:9]([O:32][C:24]2[CH:25]=[C:26]([O:30][CH3:31])[C:27]([O:28][CH3:29])=[C:22](...
1
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][CH2:14][CH2:13][C:12]1([CH3:19])[C:16](O)=[O:17])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Cl:20]CCl>>[Cl:20][C:16]([C:12]1([CH3:19])[CH2:13][CH2:14][CH2:15][N:11]1[C:9]([O:8][CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)=[O:10])=[O:17]
1
ClC=1C=C(C=C(C1)Cl)S(=O)(=O)Cl.NC=1C=C2C=CC=C(C2=CC1)C(=O)O>>ClC=1C=C(C=C(C1)Cl)S(=O)(=O)NC=1C=C2C=CC=C(C2=CC1)C(=O)O
5
C(C1=CC=CC=C1)OC(=O)NC(C(C(C(=O)OCC)(CC)CC)=O)C>CO[H].[HH].[Pd]>C(C)C1(C(NC(C1=O)C)=O)CC
3
BrC=1C=C(C#N)C=CC1O.ClC(C(=O)[O-])(F)F.[Na+]>N(C)(C)C=O.O.C([O-])([O-])=O.[Na+].[Na+]>BrC=1C=C(C#N)C=CC1OC(F)F
3
C(C)(=O)OC(C)=O.C1(=CC=C(C=C1)CO)CO>>C(C)(=O)OCC1=CC=C(C=C1)COC(C)=O
5
[CH3:1][O:2][C:3]([NH:5][C@@H:6]([CH:54]1[CH2:59][CH2:58][O:57][CH2:56][CH2:55]1)[C:7]([N:9]1[CH2:13][CH2:12][CH2:11][C@H:10]1[C:14]1[NH:18][C:17]2[C:19]3[C:24]([CH2:25][CH2:26][C:16]=2[N:15]=1)=[CH:23][C:22]([C:27]1[CH:28]=[C:29]2[C:34](=[CH:35][CH:36]=1)[CH:33]=[C:32]([C:37]1[NH:41][C:40]([C@@H:42]4[CH2:46][CH2:45][C...
1
FC(C)(C)C1=CC(=C(C=N1)C(=O)OC)OC1=C(C=C(C=C1)OC(F)(F)F)OC>O.C1CCCO1.CO[H].Cl.[OH-].[Na+]>FC(C)(C)C1=CC(=C(C=N1)C(=O)O)OC1=C(C=C(C=C1)OC(F)(F)F)OC
3
N[C@H]1COCC[C@@H]1O.ClC=1C(=C(C(=O)OC)C=C(C1C)CC1=CC=C(C=C1)OC)C=O>C1CCCO1.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>ClC1=C2CN(C(C2=CC(=C1C)CC1=CC=C(C=C1)OC)=O)[C@H]1COCC[C@@H]1O
3
C(C)(C)(C)OC(CCC1=CC(=C(C(=C1)Cl)C=1NC2=CC(=CC=C2C1)C(NC1=NC2=CC=CC=C2C=C1)=O)Cl)=O>ClCCl.Cl>Cl.ClC=1C=C(C=C(C1C=1NC2=CC(=CC=C2C1)C(NC1=NC2=CC=CC=C2C=C1)=O)Cl)CCC(=O)O
3
[NH2:1][C@@H:2]([CH3:5])[CH2:3][OH:4].[H-].[Na+].[Br:8][C:9]1[N:13]2[N:14]=[C:15](Cl)[CH:16]=[CH:17][C:12]2=[N:11][CH:10]=1.O>C1COCC1.CN(C=O)C>[Br:8][C:9]1[N:13]2[N:14]=[C:15]([O:4][CH2:3][C@@H:2]([NH2:1])[CH3:5])[CH:16]=[CH:17][C:12]2=[N:11][CH:10]=1
2
Cl[C:2]1[C:11]2[C:6](=[C:7]([CH3:14])[C:8]([O:12][CH3:13])=[CH:9][CH:10]=2)[N:5]=[C:4]([C:15]2[CH:16]=[N:17][N:18]([CH2:20][CH2:21][CH3:22])[CH:19]=2)[CH:3]=1.C(N1C=C(C2C=C([OH:40])C3C(=C(C)C(OC)=CC=3)N=2)C=N1)C>>[OH:40][C:2]1[C:11]2[C:6](=[C:7]([CH3:14])[C:8]([O:12][CH3:13])=[CH:9][CH:10]=2)[N:5]=[C:4]([C:15]2[CH:16]=...
2
NC1=CC=CC=C1.ClC=1C(=C(C(=C2C1C(=O)OC2=O)Cl)Cl)Cl>C(C)(=O)O>C1(=CC=CC=C1)N1C(C=2C(C1=O)=C(C(=C(C2Cl)Cl)Cl)Cl)=O
3
CN(C1=CC=C(C=C1)B(O)O)C.BrC1=NC(=CC=C1N1CCNC(CC1)=O)OC>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>CN(C1=CC=C(C=C1)C1=NC(=CC=C1N1CCNC(CC1)=O)OC)C
3
C1(=CC=CC=C1)S(=O)(=O)N1C(=CC=2C1=NC=CC2)C(=CC2CCCC2)C2=CC1=C(OCCO1)C=C2>C1CCCO1.CCO[H].[OH-].[Na+]>C1(CCCC1)C=C(C1=CC2=C(OCCO2)C=C1)C1=CC=2C(=NC=CC2)N1
3
[Ca+2].[OH:2][CH:3]([CH2:7][CH2:8][S:9][CH3:10])[C:4]([O-:6])=[O:5].O[CH:12](CCSC)C([O-])=O.[Cl-].[Na+]>Cl>[OH:2][CH:3]([CH2:7][CH2:8][S:9][CH3:10])[C:4]([O:6][CH3:12])=[O:5]
1
Cl.[CH3:2][C:3]1[N:4]([CH2:11][CH2:12][NH2:13])[C:5]([N+:8]([O-:10])=[O:9])=[CH:6][N:7]=1.O=[C:15]1[CH:23]([I:24])[CH2:22][C:21](=O)[CH2:20][C:16]1(N1C=CC=C1)[C:17]([O-])=[O:18]>CN(C)C=O.C(N(CC)CC)C>[CH3:2][C:3]1[N:4]([CH2:11][CH2:12][NH:13][C:17](=[O:18])[C:16]2[CH:20]=[CH:21][CH:22]=[C:23]([I:24])[CH:15]=2)[C:5]([N+:...
2
Cl[C:2]1[C:3]2[N:4]([C:8]([C:11]3[CH:16]=[CH:15][N:14]=[C:13]([S:17][CH3:18])[N:12]=3)=[CH:9][N:10]=2)[CH:5]=[CH:6][N:7]=1.[CH3:19][N:20]1[CH2:25][CH2:24][NH:23][CH2:22][CH2:21]1.C(N(C(C)C)CC)(C)C>CC(O)C>[CH3:19][N:20]1[CH2:25][CH2:24][N:23]([C:2]2[C:3]3[N:4]([C:8]([C:11]4[CH:16]=[CH:15][N:14]=[C:13]([S:17][CH3:18])[N:...
1
[O:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[O:4][CH2:3][C@@H:2]1[C:11]([N:13]1[CH2:18][CH2:17][CH2:16][C@H:15]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][C:20]=2[F:25])[CH2:14]1)=O.B.C1COCC1>>[O:1]1[C:6]2[CH:7]=[CH:8][CH:9]=[CH:10][C:5]=2[O:4][CH2:3][C@@H:2]1[CH2:11][N:13]1[CH2:18][CH2:17][CH2:16][C@H:15]([C:19]2[CH:24]=...
1
C(C)ON=C(CBr)C1=NC=C(C=C1Cl)Cl>>ClC=1C(=NC=C(C1)Cl)C(CN1C(C=2C(C1=O)=CC=CC2)=O)=NOCC
5
C(C#C)Br.NC=1C=C(C#N)C=CC1>C1(=CC=CC=C1)C.C(C)(C)N(C(C)C)CC>C(C#C)NC=1C=C(C#N)C=CC1
3
[F:1][C:2]1[CH:3]=[C:4]([NH2:12])[CH:5]=[C:6]2[C:10]=1[CH2:9][N:8]([CH3:11])[CH2:7]2.CN(C1C(C2C(P(C3CCCCC3)C3CCCCC3)=CC=CC=2)=CC=CC=1)C.Cl[C:42]1[N:47]=[C:46]([NH:48][C@@H:49]2[CH2:54][CH2:53][CH2:52][N:51]([C:55](=[O:58])[CH:56]=[CH2:57])[CH2:50]2)[C:45]([F:59])=[CH:44][N:43]=1.C([O-])([O-])=O.[Na+].[Na+]>CC(O)(CC)C.O...
2
COC1=CC=C(C=C1)S.ClCC(=O)C1CCCC1>>C1(CCCC1)C(CSC1=CC=C(C=C1)OC)=O
5
C(C)(C)(C)[Si](O[C@H]1CCC2=C(C=CC=C12)C(C(CCCO)(C)C)O)(C)C>>C(C)(C)(C)[Si](C)(C)O[C@H]1CCC2=C(C=CC=C12)C1OCCCC1(C)C
5
BrC1=CC=C(C=C1)N1C(=C(C=C1)NC(CC1=CC=CC=C1)=O)C(=O)OCC>CC(C)(C)[O-].[K+].CS(=O)C>BrC1=CC=C(C=C1)N1C=CC=2NC(C(=C(C21)O)C2=CC=CC=C2)=O
3
[OH:1][CH2:2][C:3]1[CH:4]=[C:5]([CH:16]=[CH:17][C:18]=1[O:19][CH3:20])[CH2:6][CH:7]([C:12]([O:14][CH3:15])=[O:13])[C:8]([O:10][CH3:11])=[O:9].[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([N:28]=[C:29]=[O:30])=[CH:24][CH:23]=1>>[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([NH:28][C:29]([O:1][CH2:2][C:3]2[CH:4]=[C:5]([CH:16]=[CH:17][C:18]...
1
O([K])C#N.ClC1=C(N)C=C(C=C1)O.ClC1=C(C=C(C=C1)O)NC(=O)N>O.C(C)(=O)O>NC=1C(=C2C3(NC(NC2=C(C1)Cl)=O)CCC(CC3)(F)F)O
3
[CH2:1]([N:3]=[C:4]=[O:5])[CH3:2].[O:6]1[C:10]2[CH:11]=[CH:12][CH:13]=[CH:14][C:9]=2[C:8](=[O:15])[NH:7]1>C1COCC1>[CH2:1]([NH:3][C:4]([N:7]1[C:8](=[O:15])[C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2[O:6]1)=[O:5])[CH3:2]
1
[K].C(=C)[B-](F)(F)F.[H+].ClC1=NC=CC(=C1)N(C=1C(=NC(=C(C#N)C1)N1C[C@H](N(CC1)C(CCO)=O)C1CC1)C1CC1)C>>C1(CC1)C1=NC(=C(C#N)C=C1N(C1=CC(=NC=C1)C=C)C)N1C[C@H](N(CC1)C(CCO)=O)C1CC1
5
C(C)(C)(C)OC(NC1CC(CCC1)NC1=NC(=NC=2N1N=CC2CC)SC)=O>ClCCl.ClC=1C=C(C(=O)OO)C=CC1.[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(C)(C)(C)OC(NC1CC(CCC1)NC1=NC(=NC=2N1N=CC2CC)S(=O)(=O)C)=O
3
COC(=O)C=1OC=CC1.C(C1=CC=CC=C1)(=O)OC(C1=CC=CC=C1)=O>>C1(=CC=CC=C1)C(=O)C=1OC(=CC1)C(=O)OC
5
BrCC(=O)OC(C)(C)C.OC=1NC2=C(N1)C=CC=C2>>C(C)(C)(C)OC(CN1C(NC2=C1C=CC=C2)=O)=O
5
[CH3:1][N:2]1[C:6]([CH2:7]OC)=[N:5][N:4]=[C:3]1[SH:10].[C:11](O)(=O)CC.CNC(=S)NN>>[CH3:1][N:2]1[C:6]([CH2:7][CH3:11])=[N:5][N:4]=[C:3]1[SH:10]
1
C([O:4][CH2:5][CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH3:14])(=O)C.C=CCCCC.C(O)(=[O:27])CCCC=C>Cl[Ru](=CC1C=CC=CC=1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl>[C:5]([OH:4])(=[O:27])[CH2:6][CH2:7][CH2:8][CH:9]=[CH:10][CH2:11][CH2:12][CH2:13][CH3:14]
1
NC1=C2N=CN(C2=NC=N1)C(C)C=1OC2=CC=C(C=C2C(C1C1=CC=CC=C1)=O)Br>CO[H].ClCCl.[HH].[HH].[Pd]>NC1=C2N=CN(C2=NC=N1)C(C)C=1OC2=CC=CC=C2C(C1C1=CC=CC=C1)=O
3
[N:1]1([C:7]2[S:8][CH:9]=[C:10]([CH2:12][OH:13])[N:11]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C>CS(C)=O>[N:1]1([C:7]2[S:8][CH:9]=[C:10]([CH:12]=[O:13])[N:11]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1
1
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([O:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][N:11]=2)=[N:6][CH:7]=1.C(N(CC)CC)C.Cl[C:24]([O:26][C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)=[O:25]>ClCCl>[N:11]1[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=1[CH2:9][O:8][C:5]1[CH:4]=[CH:3][C:2]([NH:1][C:24](=[O:25])[O:26][C:27]2[CH:32]=[CH...
1
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:13][C:14]1[CH:19]=[CH:18][C:17]([O:20][CH2:21][CH3:22])=[CH:16][CH:15]=1)[C:10]([OH:12])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1.ON1C2C=CC=CC=2N=N1.C(N(C(C)C)C(C)C)C.[CH3:66][O:67][C:68](=[O:94])[C@@H:69]([NH:79][CH2:80][C:81]1[CH:...
2
BrCCNC(OC(C)(C)C)=O.N12C[C@@H](C(CC1)CC2)OC(C(C2=CC=CC=C2)(C2=CC=CC=C2)O)=O>N(C)(C)C=O>[Br-].C(C)(C)(C)OC(=O)NCC[N+]12C[C@@H](C(CC1)CC2)OC(C(C2=CC=CC=C2)(C2=CC=CC=C2)O)=O
3
Br.[C:2]([N:8]1[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]1)(=[O:7])[CH2:3][C:4]([CH3:6])=[O:5].C(N(CC)CC)C.[C:21](Cl)(=[O:25])[C:22]([CH3:24])=[CH2:23]>CN(C)C=O.CC1C=CC(S(NC2C=CC(NC3C=CC=CC=3)=CC=2)(=O)=O)=CC=1>[C:2]([N:8]1[CH2:13][CH2:12][N:11]([C:21](=[O:25])[C:22]([CH3:24])=[CH2:23])[CH2:10][CH2:9]1)(=[O:7])[CH2:3][C:4]...
1
[NH2:1][C@@H:2]([CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:14][C:15]2[N:16]=[C:17]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[O:18][C:19]=2[CH2:20][CH3:21])=[CH:9][CH:8]=1)[C:3]([OH:5])=[O:4].[F:28][C:29]([F:43])([F:42])[C:30]1[CH:35]=[CH:34][C:33]([C:36](=[O:41])[CH2:37][C:38](=O)[CH3:39])=[CH:32][CH:31]=1.C(N...
1
[C:1]([NH:4][CH2:5][CH2:6][C:7]1[CH:12]=[C:11]([CH2:13][CH2:14][CH2:15][O:16][CH3:17])[CH:10]=[CH:9][C:8]=1[C:18]1[O:22][N:21]=[C:20]([C@@H:23]2[C@:28]([C:30]3[CH:35]=[CH:34][C:33]([F:36])=[C:32]([F:37])[CH:31]=3)([OH:29])[CH2:27][CH2:26][N:25](C(OC(C)(C)C)=O)[CH2:24]2)[C:19]=1[Br:45])(=[O:3])[CH3:2].[ClH:46]>C(Cl)Cl>[...
2
COC1=CC=C(C=N1)C(CC)N.O=C1NC2=C(N(C1)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N=CC=C2>N(C)(C)C=O.CCN(CC)CC.C(O)([O-])=O.[Na+]>COC1=CC=C(C=N1)C(CC)NC(=O)N1C2=C(NC(C1)=O)C=CC=N2
3
[F:1][C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-])=O)=[CH:6][C:3]=1[CH:4]=[O:5].[BH4-].[Na+]>CO.[Pd]>[NH2:10][C:7]1[CH:8]=[CH:9][C:2]([F:1])=[C:3]([CH2:4][OH:5])[CH:6]=1
2
C(#C)[Si](C)(C)C.CON(C(=O)[C@H]1N(CCC1)C(=O)OC(C)(C)C)C>C1CCCO1.C(CCC)[Li].[Cl-].[NH4+].CCCCCC.CCCC(C)C.CCC(C)CC>C(C)(C)(C)OC(=O)N1[C@@H](CCC1)C(C#C[Si](C)(C)C)=O
3
Cl[C:2]1[C:7]([C:8]#[N:9])=[CH:6][N:5]=[C:4]([S:10][CH3:11])[N:3]=1.C(N(CC)CC)C.[CH2:19]1[CH:23]2[CH2:24][CH:25]([NH2:26])[CH:21]([CH2:22]2)[CH2:20]1>ClCCl>[CH:21]12[CH2:22][CH:23]([CH2:19][CH2:20]1)[CH2:24][CH:25]2[NH:26][C:2]1[C:7]([C:8]#[N:9])=[CH:6][N:5]=[C:4]([S:10][CH3:11])[N:3]=1
1
C(C)(C)(C)OC(=O)N1C(OC[C@@H]1C=O)(C)C>>C(C)OC(/C=C/[C@@H]1N(C(OC1)(C)C)C(=O)OC(C)(C)C)=O
5
Br[C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[CH:10]([F:12])[F:11])[C:5]#[N:6].C(N(CC)CC)C.C1(P(C2C=CC=CC=2)CCCP(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[C]=[O:50].C[CH2:52][O:53][CH2:54]C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.CN(C=O)C.CO>[C:5]([C:4]1[CH:7]=[CH:8][C:9]([CH:10]([F:12])[F:11])=[C:2]([CH:3]=1)[C:52]([O:53][CH3:54])=[O:5...
1
ClC1=NC(=NC(=N1)Cl)OC[C@@H]1[C@@H](C1)C#N.NC=1C(=NC(=CC1)C1CCNCC1)C(=O)N>C1CCCO1.CO[H].C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>NC=1C(=NC(=CC1)C1CCN(CC1)C1=NC(=NC(=N1)Cl)OC[C@@H]1[C@@H](C1)C#N)C(=O)N
3
Cl[C:2]1[CH:11]=[CH:10][N:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][C:6]([CH2:12][CH2:13][CH3:14])=[N:7]2.[NH2:15][C:16]1[CH:21]=[C:20]([O:22][CH2:23][C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[Br:30])[CH:19]=[CH:18][C:17]=1[S:31][C:32]1[CH:37]=[CH:36][C:35]([NH:38][C:39](=[O:41])[CH3:40])=[CH:34][CH:33]=1>C(O)C>[Br:30][C:25]1[C...
1
ClC1=CC(=C(C=C1)/C=C/C(=O)N1CCN(CC1)C(=O)OC(C)(C)C)CN1N=C(N=N1)C>ClCCl.C(=O)(C(F)(F)F)O>ClC1=CC(=C(C=C1)/C=C/C(=O)N1CCNCC1)CN1N=C(N=N1)C
3
C(C)(=O)C=1C=CC2=C(C=3C(CN(C3C=C2)C(C(F)(F)F)=O)CCl)C1>S(O)(O)(=O)=O.[N+](=O)([O-])[O-].[K+]>C(C)(=O)C=1C=CC2=C(C=3C(CN(C3C=C2[N+](=O)[O-])C(C(F)(F)F)=O)CCl)C1
3
[CH2:1]([OH:12])[C@H:2]([C@H:4]([C@@H:6]([C@@H:8]([CH2:10][OH:11])[OH:9])[OH:7])[OH:5])[OH:3].CO[C:15](OC)([CH3:17])[CH3:16].C(=O)(O)[O-].[Na+].O1C[CH2:28][CH2:27][CH2:26]1>CN(C)C=O.O.C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH3:16][C:15]1([CH3:17])[O:9][C@@H:8]([C@@H:6]([OH:7])[C@H:4]([OH:5])[C@@H:2]2[O:3][C:27]([CH3:28])([CH3:26]...
1
[CH3:1][C:2]([CH3:23])([CH3:22])[CH2:3][O:4][C:5]([C:7]1[CH:8]=[C:9](Br)[CH:10]=[C:11]2[C:16]=1[O:15][C:14]([CH3:18])([CH3:17])[CH2:13][C:12]2([CH3:20])[CH3:19])=[O:6].C(N(CC)CC)C.[CH3:31][Si:32]([C:35]#[CH:36])([CH3:34])[CH3:33].C(OCC)(=O)C>CCCCCC.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC...
1