Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(#N)C=1C(=C(C=CC1)CC(=O)OC)OCCCC=1C(=NN(C1)C1=NC=C(C=C1)C(F)(F)F)C(C)C>C1CCCO1.CO[H].[OH-].[Na+]>C(#N)C=1C(=C(C=CC1)CC(=O)O)OCCCC=1C(=NN(C1)C1=NC=C(C=C1)C(F)(F)F)C(C)C
3
[OH:1][C@H:2]1[CH2:6][CH2:5][C:4](=[O:7])[C:3]1([CH3:9])[CH3:8].N1C=CC=CC=1.CO[C@](C1C=CC=CC=1)(C(F)(F)F)C(Cl)=O>ClC(Cl)C>[CH3:8][C:3]1([CH3:9])[C:2](=[O:1])[CH2:6][CH2:5][C:4]1=[O:7]
1
NC1=CC=C(C=C1)C.OC=1C(NC(C1C1=CC=C(C=C1)O)=O)=O>C(C)(=O)OCC.CN1C(CCC1)=O>CC1=CC=C(C=C1)NC=1C(NC(C1C1=CC=C(C=C1)O)=O)=O
3
[Cl:1][C:2]1[CH:8]=[C:7]([O:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:22][CH3:23])=[C:17]([O:20][CH3:21])[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:6]=[CH:5][C:3]=1[NH2:4].C1(C)C=CC=CC=1.C(N(CC)CC)C.Cl[C:39](Cl)([O:41]C(=O)OC(Cl)(Cl)Cl)Cl.[Br:50][C:51]1[CH:59]=[CH:58][CH:57]=[CH:56][C:52]=1[CH:53]([OH:55])[CH3:54]>C(Cl)Cl>[Cl...
1
[OH:1][C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[CH:4][C:3]=1[O:10][CH3:11].C(=O)([O-])[O-].[K+].[K+].I[CH2:19][CH:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1>CC(C)=O>[CH3:11][O:10][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][C:2]=1[O:1][CH2:19][CH:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1)[C:6]#[N:7]
1
COC=1C=C2CCN(CC2=CC1OC)CCC1=CC=C(C=C1)[N+](=O)[O-]>>COC=1C=C2CCN(CC2=CC1OC)CCC1=CC=C(C=C1)N
5
N1CCC1.FC1=C(C=CC=C1C[C@@H]1N(CC[C@@H]1NS(=O)(=O)C)C(=O)Cl)C1=CC(=CC=C1)F>C1CCCO1>N1(CCC1)C(=O)N1[C@H]([C@H](CC1)NS(=O)(=O)C)CC=1C(=C(C=CC1)C1=CC(=CC=C1)F)F
3
Cl.Cl.[F:3][C:4]([F:25])([F:24])[CH2:5][N:6]=[C:7]([NH2:23])[NH:8][C:9]1[CH:14]=[CH:13][N:12]=[C:11]([CH2:15][CH2:16][CH2:17][CH2:18][C:19](=[NH:22])[O:20][CH3:21])[N:10]=1.[CH2:26]([N:28](CC)CC)C.N#CN>CO>[C:26]([N:22]=[C:19]([O:20][CH3:21])[CH2:18][CH2:17][CH2:16][CH2:15][C:11]1[N:10]=[C:9]([NH:8][C:7]([NH2:23])=[N:6]...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][C:9]2[C:18]3[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=3)[C:12](=[O:19])[N:11]([CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25][CH2:26][C:27]3[CH:32]=[CH:31][C:30]([O:33][CH2:34][CH2:35][CH2:36][N:37]4[CH2:43][CH2:42][CH2:41][CH2:40][CH2:39][CH2:38]4)=[CH:29][CH:28]=3)[N:10]=2)=[CH:4][C...
2
[C-]#N.[Na+].Cl.CNC.C(=O)C=1N=C(N(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)F>C1CCCO1>CN(C(C=1N=C(N(C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)F)C#N)C
3
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C=5C=CC=CC5)NC(=O)OC(C)(C)C)O)O)OC(=O)C=6C=CC=CC6)(CO4)OC(=O)C)O)C)O>CC#N>CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO...
3
Cl.ClCCN1CCOCC1.N1=C(C=C2N1C=CC=C2)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>N1=C(C=C2N1C=CC=C2)OCCN2CCOCC2
3
C(=C)[Sn](CCCC)(CCCC)CCCC.BrC1=C(C=CC=C1OC)CN1C(CCCC1=O)COC1=C(C=O)C(=CC=C1)O>C1(=CC=CC=C1)C.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(=C)C1=C(C=CC=C1OC)CN1C(CCCC1=O)COC1=C(C=O)C(=CC=C1)O
3
[CH3:1][N:2]1[CH:6]=[CH:5][N:4]=[C:3]1[CH:7]=O.[CH3:9][C:10]([CH3:15])([CH3:14])[CH2:11][CH2:12][NH2:13].[BH4-].[Na+]>CO>[CH3:9][C:10]([CH3:15])([CH3:14])[CH2:11][CH2:12][NH:13][CH2:7][C:3]1[N:2]([CH3:1])[CH:6]=[CH:5][N:4]=1
1
BrCCCC1=CC=CC=C1.C(CCC)N1C(NC(C=2N(C=NC12)CC1=CC=CC=C1)=O)=O>>C(CCC)N1C(N(C(C=2N(C=NC12)CC1=CC=CC=C1)=O)CCCC1=CC=CC=C1)=O
5
[F:1][C:2]([F:38])([F:37])[C:3]1[CH:4]=[C:5]([CH2:13][O:14][C@H:15]2[CH2:20][CH2:19][C:18](=[O:21])[N:17](CC3C=CC(OC)=CC=3)[C@H:16]2[C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.O.[N+]([O-])([O-])=O.[NH4+].[Ce]>C(#N)C>[F:11][C:9]([F:10])([F:12])[C:7]1[CH:6]=[C:5]([CH2:...
1
C[O:2][C:3]1[CH:22]=[CH:21][CH:20]=[CH:19][C:4]=1[CH:5]=[C:6]1[N:10]=[C:9]([CH3:11])[N:8]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:7]1=[O:18].B(Br)(Br)Br>ClCCl>[OH:2][C:3]1[CH:22]=[CH:21][CH:20]=[CH:19][C:4]=1[CH:5]=[C:6]1[N:10]=[C:9]([CH3:11])[N:8]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:7]1=[O:18]
1
[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][CH2:14][OH:15])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>C(Cl)Cl>[C:1]1([CH2:7][CH2:8][CH2:9][CH2:10][O:11][CH2:12][CH2:13][CH:14]=[O:15])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
1
CS(=O)(=O)Cl.CC1(CC1)C1=CC=2C(=[N+](C=CC2)[O-])N1>N(C)(C)C=O>ClC1=C2C(=NC=C1)NC(=C2)C2(CC2)C
3
OC1=C(C=CC=C1)C=1OC2=C(C(N1)=O)C=CC=C2.Cl.N(N)CC(=O)OCC>CCN(CC)CC.CCO[H]>OC1=C(C=CC=C1)C1=NN(C(=N1)C1=C(C=CC=C1)O)CC(=O)OCC
3
[CH3:1][C:2]1[CH:3]=[N:4][C:5]2[CH2:6][CH2:7][CH2:8][CH2:9][C:10]=2[CH:11]=1.C([Li])CCC.[Li][CH:18]1C2N=CC(C)=CC=2CCC1.[C:29](=[O:31])=[O:30]>CCOCC>[CH3:18][O:30][C:29]([CH:6]1[C:5]2[N:4]=[CH:3][C:2]([CH3:1])=[CH:11][C:10]=2[CH2:9][CH2:8][CH2:7]1)=[O:31]
1
OCCN(C(=O)NC1=CC=C(C=C1)CO)C>ClCCl.[O-2].[O-2].[Mn+4]>C(=O)C1=CC=C(C=C1)NC(N(C)CCO)=O
3
Br[C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([NH:12][CH:13]([CH2:15][CH2:16][CH2:17][N:18]([CH2:21][CH3:22])[CH2:19][CH3:20])[CH3:14])[N:6]=[CH:5]2.[CH3:23][C:24]1[CH:29]=[CH:28][N:27]=[CH:26][C:25]=1B(O)O.C([O-])([O-])=O.[Na+].[Na+].[OH-].[Na+]>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=C...
2
BrC=1C=C2CCC=3C(=NSC3C3=CC=C(C=C3)OC(F)(F)F)C2=CC1>>BrC=1C=C2C=CC=3C(=NSC3C3=CC=C(C=C3)OC(F)(F)F)C2=CC1
5
FC1=CC=C(CNC2=NC=CC=C2[N+](=O)[O-])C=C1>>FC1=CC=C(CNC2=NC=CC=C2N)C=C1
5
NC1=CC(=C(CN2CC(NCC2)=O)C=C1)C(F)(F)F.ClC1=C(C=C2C(=NC=NC2=C1)OC=1C(=CC(=C(C(=O)O)C1)F)C)OC>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>ClC1=C(C=C2C(=NC=NC2=C1)OC=1C(=CC(=C(C(=O)NC2=CC(=C(C=C2)CN2CC(NCC2)=O)C(F)(F)F)C1)F)C)OC
3
C([NH:9][C:10]1[S:11][CH2:12][CH:13]2[CH2:18][N:17]([C:19]3[N:24]=[CH:23][C:22]([F:25])=[CH:21][N:20]=3)[CH2:16][C:14]2([C:26]2[CH:27]=[C:28]([NH:33][C:34]([C:36]3[CH:41]=[CH:40][C:39]([F:42])=[CH:38][N:37]=3)=[O:35])[CH:29]=[CH:30][C:31]=2[F:32])[N:15]=1)(=O)C1C=CC=CC=1.Cl.CON.N1C=CC=CC=1.CS(C)=O>C(O)C>[NH2:9][C:10]1[...
1
[C:1]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(/C(OC(C)C)=O)=N\C(OC(C)C)=O.COC1C(OC)=C(OC)C=C(/[CH:46]=[CH:47]/[C:48]([N:50]2[C:55](=[O:56])[CH:54]=[CH:53][CH2:52]C2)=[O:49])C=1.CN(C)CCO>C1(C)C=CC=CC=1.C1COCC1>[C:48]([NH:50][C:55](=[O:56])/[CH:54]=[CH:53]/[CH3:52])(=[O:49])[C:47]([CH3:46])=[CH2:1]
1
Br[CH2:2][CH2:3][CH2:4][CH2:5][O:6][C:7]1[CH:16]=[C:15]2[C:10]([CH:11]([CH2:18][NH:19][C:20](=[O:26])[O:21][C:22]([CH3:25])([CH3:24])[CH3:23])[CH2:12][C:13](=[O:17])[NH:14]2)=[CH:9][CH:8]=1.Cl.[Cl:28][C:29]1[C:34]([Cl:35])=[CH:33][CH:32]=[CH:31][C:30]=1[N:36]1[CH2:41][CH2:40][NH:39][CH2:38][CH2:37]1.C([O-])([O-])=O.[K+...
2
[CH2:1]([O:3][C:4]([C:6]1([C:9]2[CH:14]=[CH:13][C:12]([C:15]3[CH:20]=[CH:19][C:18]([C:21]4[O:25][N:24]=[C:23]([CH3:26])[C:22]=4[CH:27]([OH:32])[CH:28]([CH3:31])[CH:29]=[CH2:30])=[CH:17][CH:16]=3)=[CH:11][CH:10]=2)[CH2:8][CH2:7]1)=[O:5])[CH3:2].I[C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1>>[CH2:1]([O:3][C:4]([C:6]1([...
1
Cl.[NH2:2][OH:3].[C:4]([N:6]1[CH2:11][CH2:10][CH:9](N(C2CC2)C(C2C=NC(N3C=CN=C3CC)=NC=2)=O)[CH2:8][CH2:7]1)#[N:5].C(N(C(C)C)C(C)C)C>C(O)C>[OH:3][NH:2][C:4]([N:6]1[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]1)=[NH:5]
1
ClC1=CC=C(C[C@H](C(=O)N2CCC(CC2)(CN2N=CN=C2)C2CCCCC2)NC2CCC(CC2)C2=NNNN2)C=C1>>Cl.ClC1=CC=C(C[C@H](C(=O)N2CCC(CC2)(CN2N=CN=C2)C2CCCCC2)NC2CCC(CC2)C2=NNNN2)C=C1
5
N=1ON=C2C1C=CC(=C2)C=O.O1CC(CC(C1)=O)=O.NC=1N(OC(C1)=O)C>CCO[H]>N=1ON=C2C1C=CC(=C2)C2C1=C(NC3=C2C(COC3)=O)N(OC1=O)C
3
CS(=O)(=O)C.Cl.ClC(=N)N.NC=1SC(=CC1C(=O)OCC)C1=CC=C(C=C1)F>N>NC=1NC(C2=C(N1)SC(=C2)C2=CC=C(C=C2)F)=O
3
[OH-].[Na+].[Cl:3][C:4]1[N:9]=[C:8]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[CH:7]=[C:6]([CH2:16][S:17]([CH3:20])(=[O:19])=[O:18])[N:5]=1.Br[CH2:22][CH2:23][O:24][CH2:25][CH2:26]Br>[Br-].C([N+](CCCC)(CCCC)CCCC)CCC.C(Cl)Cl.O>[Cl:3][C:4]1[N:9]=[C:8]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[CH:7]=[C:6]([C:16...
2
ClC(C(=O)Cl)Cl.N[C@@H](C(=O)OCC)[C@@H](O)C1=CC=C(C=C1)S(=O)(=O)C>O.CO[H].ClCCl.CCN(CC)CC>ClC(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)C1=CC=C(C=C1)S(=O)(=O)C)Cl
3
CC(C)(C)[S@@](=O)N[C@@H](C)C1CCOCC1>CO[H].Cl>Cl.O1CCC(CC1)[C@H](C)N
3
OS(O)(=O)=O.[S:6]1[CH:10]=[CH:9][C:8]([C:11](O)([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])=[C:7]1[C:23]1[S:24][CH:25]=[CH:26][CH:27]=1.C(Cl)Cl>O>[CH2:12]([C:11]1([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[C:27]2[CH:26]=[CH:25][S:24][C:23]=2[C:7]2[S:6][CH:10]=[CH:9][C:8]1=2)[CH2:13...
1
S(=O)(O)[O-].[Na+].[F:6][C:7]1[CH:8]=[C:9]([CH:12]=[C:13]([F:15])[CH:14]=1)[CH:10]=[O:11].[C-:16]#[N:17].[Na+]>O>[F:6][C:7]1[CH:8]=[C:9]([CH:12]=[C:13]([F:15])[CH:14]=1)[CH:10]([OH:11])[C:16]#[N:17]
1
CS(=O)(=O)Cl.C(C1=CC=CC=C1)N1CC(CC1)(CC1=CC=CC=C1)C=1C=C2C=CNC2=CC1>>C(C1=CC=CC=C1)N1CC(CC1)(CC1=CC=CC=C1)C=1C=C2C=CN(C2=CC1)S(=O)(=O)C
5
[Cl:1][C:2]1[N:6]([C@@H:7]2[O:19][C@H:18]([CH2:20][O:21]C(=O)C)[C@@H:13]([O:14]C(=O)C)[C@H:8]2[O:9]C(=O)C)[C:5]2[CH:25]=[C:26]([Cl:29])[CH:27]=[CH:28][C:4]=2[N:3]=1>N>[Cl:1][C:2]1[N:6]([C@@H:7]2[O:19][C@H:18]([CH2:20][OH:21])[C@@H:13]([OH:14])[C@H:8]2[OH:9])[C:5]2[CH:25]=[C:26]([Cl:29])[CH:27]=[CH:28][C:4]=2[N:3]=1
1
[F:1][C:2]([F:17])([F:16])[C:3]1[CH:4]=[C:5]([CH:13](O)[CH3:14])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.P(Br)(Br)[Br:19]>C1(C)C=CC=CC=1.O>[Br:19][CH:13]([C:5]1[CH:4]=[C:3]([C:2]([F:17])([F:16])[F:1])[CH:8]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:6]=1)[CH3:14]
1
ICCCC.OC1=C(CO)C=CC=C1>CC#N.C([O-])([O-])=O.[K+].[K+]>C(CCC)OC1=C(C=CC=C1)CO
3
[Cl:1][C:2]1[S:6][C:5]([C:7]2[N:11]([CH2:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=3[F:19])[C:10](=[O:20])[N:9]([CH2:21][C:22](O)=[O:23])[N:8]=2)=[CH:4][CH:3]=1.[NH2:25][CH2:26][CH:27]([NH:38][C:39](=[O:45])[O:40][C:41]([CH3:44])([CH3:43])[CH3:42])[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=1[C:34]([F:37])([F:36])...
1
ClC=1N=C2N(C=CC=C2)C1C(=O)OCC.C(C)N1C(N(C2=NC=C(C=C21)C)C2=CC=C(C=C2)O)=O>>C(C)N1C(N(C2=NC=C(C=C21)C)C2=CC=C(OC=1N=C3N(C=CC=C3)C1C(=O)OCC)C=C2)=O
5
C(C1=CC=CC=C1)OC1=C(C=CC=C1C(C)(C)C)C1=CC(=CC=C1)C(=C)C1=NC=CC=C1>CO[H].[HH].C(C)(=O)OCC.[Pd]>C(C)(C)(C)C1=C(C(=CC=C1)C1=CC(=CC=C1)C(C)C1=NC=CC=C1)O
3
C[O:2][C:3]([C:5]1[C:6]2[C:7]([CH:21]=O)=[C:8]([C:14]3[CH:19]=[CH:18][C:17]([F:20])=[CH:16][CH:15]=3)[NH:9][C:10]=2[CH:11]=[CH:12][CH:13]=1)=O.[NH2:23][NH2:24]>>[F:20][C:17]1[CH:18]=[CH:19][C:14]([C:8]2[NH:9][C:10]3[CH:11]=[CH:12][CH:13]=[C:5]4[C:3](=[O:2])[NH:24][N:23]=[CH:21][C:7]=2[C:6]=34)=[CH:15][CH:16]=1
1
C(C)(C)(C)OC(=O)C(C)(C)O\N=C(/C(=O)NC1[C@@H]2N(C(=C(CS2)CI)C(=O)OC(C2=CC=CC=C2)C2=CC=CC=C2)C1=O)\C=1N=C(SC1)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>c3c(P(c1ccccc1)c2ccccc2)cccc3.C1=CC=CC=C1.C(C)(C)OC(C)C>[I-].C(C)(C)(C)OC(=O)C(C)(C)O\N=C(/C(=O)NC1[C@@H]2N(C(=C(CS2)C[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)C(=O)OC(C2=C...
3
C(C)OC(=O)C1=CC(=NO1)\C=C\C=1C(=NOC1C)CCCC>C1(=CC=CC=C1)C.C(O)CN.N12CCCN=C2NCCC1>OCCNC(=O)C1=CC(=NO1)\C=C\C=1C(=NOC1C)CCCC
3
ClC1=C2C(=NC=C1)C=CS2.IC=1N=CN(C1)CCN1CCN(CC1)C(=O)OC(C)(C)C>>ClC1=C2C(=NC=C1)C=C(S2)C=2N=CN(C2)CCN2CCN(CC2)C(=O)OC(C)(C)C
5
S(=O)(=O)(OC)OC.C(C)(C)(C)C1=C(C=C(C=C1)N1C(C2=CC=CC=C2C1=O)=O)O>>C(C)(C)(C)C1=C(C=C(C=C1)N1C(C2=CC=CC=C2C1=O)=O)OC
5
S1C(=CC=C1)[Mg]Br.CN(C)C(C#N)C1CCC2(OCCO2)CC1>O.C1CCCO1.C(C)OCC.[Cl-].[NH4+]>O1CCOC12CCC(CC2)C(C=2SC=CC2)N(C)C
3
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([N:11]2[CH:19]([OH:20])[C:18]3[CH:17]=[CH:16][N:15]=[C:14](F)[C:13]=3[C:12]2=[O:22])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH2:23][CH2:24][C:25]1[CH:30]=[CH:29][N:28]=[CH:27][CH:26]=1>CCN(C(C)C)C(C)C.C(O)CCC>[C:1]([C:5]1[CH:10]=[CH:9][C:8]([N:11]2[CH:19]([OH:20])[C:18]3[CH:17]=[CH:16...
1
Br[C:2]1[C:10]2[O:9][CH:8]=[C:7]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[C:6]=2[CH:5]=[C:4]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[CH:3]=1.Cl.[N:24]1C=CC=C[CH:25]=1>>[C:25]([C:2]1[C:10]2[O:9][CH:8]=[C:7]([C:11]3[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=3)[C:6]=2[CH:5]=[C:4]([C:17]2[CH:22]=[CH:21][CH:20]=[C...
1
[OH-].[Na+].[O:3]1[CH2:8][CH2:7][S:6][C:5]([CH2:9][C:10]([O:12]CC)=[O:11])=[CH:4]1>O.C(O)C>[O:3]1[CH2:8][CH2:7][S:6][C:5]([CH2:9][C:10]([OH:12])=[O:11])=[CH:4]1
1
C(C(=C)C)(=O)OC(C(=C)C)=O>>C(C(=C)C)(=O)NCCN
5
FC1=CC=C(C=C1)C(C(=O)C1=CC(=CC=C1)C(F)(F)F)=C>>FC1=CC=C(C=C1)C1C(=NNC1)C1=CC(=CC=C1)C(F)(F)F
5
Br[CH2:2][C:3]1[N:7]([CH3:8])[N:6]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[C:5](=[O:15])[C:4]=1[CH:16]1[CH2:18][CH2:17]1.[F:19][C:20]1[CH:25]=[CH:24][C:23]([OH:26])=[CH:22][CH:21]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[I-].[K+]>C(#N)C.O.CCOC(C)=O>[CH:16]1([C:4]2[C:5](=[O:15])[N:6]([C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][CH...
1
ClCC(=O)Cl.C(C)(C)(C)OC([C@@H](N)[C@@H](C)CC)=O>>C(C)(C)(C)OC([C@@H](NC(CCl)=O)[C@@H](C)CC)=O
5
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.Br[C:21]1[CH:30]=[CH:29][C:24]([C:25]([O:27][CH3:28])=[O:26])=[C:23]([Cl:31])[CH:22]=1.[CH3:32][N:33](C=O)C>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.[C-]#N.[Zn+2].[C-]#N>[Cl:31][C:23]1[CH:22]=[C:21]([C:32]#[N:33])[CH:30]=[CH:29][C:24]=1[C:25]([O:27][CH3:28])=[O:26]
1
CC1=CC=C(C=C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO>>CC1=CC=C(C=C1)S(=O)(=O)N1C[C@@H]2C[C@@H]2C[C@H]1C=O
5
ClC1=C(C#N)C=CC(=C1)F.C(C)N1C(N(C(C2=CC(=CC=C12)NC(CC(CCO)C)=O)=O)CC)=O>>ClC=1C=C(OCCC(CC(=O)NC=2C=C3C(N(C(N(C3=CC2)CC)=O)CC)=O)C)C=CC1C#N
5
[NH:1]1[C:9]2[C:4](=[C:5]([CH2:10][C:11]([NH:13][C:14]3[S:15][C:16]([C:20]([NH:22][C@@H:23]([CH2:27][NH:28][C:29]([C:31]4[S:32][CH:33]=[CH:34][CH:35]=4)=[O:30])[C:24]([OH:26])=[O:25])=[O:21])=[C:17]([CH3:19])[N:18]=3)=[O:12])[CH:6]=[CH:7][CH:8]=2)[CH:3]=[N:2]1.Cl[CH:37]([O:39][C:40](=[O:45])[C:41]([CH3:44])([CH3:43])[C...
1
N1=C(C=CC=C1)OC=1C=C(C(=O)O)C=CC1>N(C)(C)C=O.ClS(Cl)=O>N1=C(C=CC=C1)OC=1C=C(C(=O)Cl)C=CC1
3
[H-].[Na+].CN(C)C=O.[CH3:8][C:9]1[C:10]([NH:15][S:16]([C:19]2[S:20][C:21]([CH3:24])=[CH:22][CH:23]=2)(=[O:18])=[O:17])=[N:11][O:12][C:13]=1[CH3:14].[CH3:25][O:26][CH2:27][CH2:28][O:29][CH2:30]Cl>C(OCC)(=O)C>[CH3:8][C:9]1[C:10]([N:15]([CH2:25][O:26][CH2:27][CH2:28][O:29][CH3:30])[S:16]([C:19]2[S:20][C:21]([CH3:24])=[CH:...
2
CI.FC=1C=C(C=CC1Cl)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>ClC1=C(C=C(C=C1)OC)F
3
BrC=1C=NC=CC1.C(C)(C)(C)OC(NC1CNC1)=O>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].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>N1=CC(=CC=C1)N1CC(C1)NC(OC(C)(...
3
ClC=1C=CC2=C([C@H](O[C@@H](C(N2)=S)CC(=O)OCC)C2=C(C(=CC=C2)OC)OC)C1>>ClC=1C=CC2=C([C@H](O[C@@H](C(N2)=NN)CC(=O)OCC)C2=C(C(=CC=C2)OC)OC)C1
5
C(C)(=O)C1=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1)O>>C(C)C1=C(C2=C(CCN(CC2)C(C(F)(F)F)=O)C=C1)O
5
Br.Br[CH2:3][C:4]([C:6]1[C:11]([CH3:12])=[CH:10][CH:9]=[CH:8][N:7]=1)=[O:5].[CH:13]([N-:15][CH:16]=[O:17])=[O:14].[Na+]>C(#N)C>[CH:13]([N:15]([CH2:3][C:4]([C:6]1[C:11]([CH3:12])=[CH:10][CH:9]=[CH:8][N:7]=1)=[O:5])[CH:16]=[O:17])=[O:14]
2
C(C=C)(=O)OC.BrC1=C(C(=CC=C1)[N+](=O)[O-])C>>CC1=C(C=CC=C1[N+](=O)[O-])/C=C/C(=O)OC
5
C(C(=O)OCC)(=O)OCC.NC=1C=C(C(=O)OCC)C=CC1N>>O=C1NC2=CC=C(C=C2NC1=O)C(=O)OCC
3
ClC1=C(C=CC=C1)C(C)=O>O.C1CCCO1.ClCCl.B1(N2CCC[C@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C.CSC.B>ClC1=C(C=CC=C1)[C@@H](C)O
3
ClC1=NC(=C(C=C1)F)C(=O)O>N(C)(C)C=O.C1CCCO1.ClS(Cl)=O>ClC1=CC=C(C(=N1)C(=O)NNC(=O)OC(C)(C)C)F
3
[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:25])/[CH:7]=[CH:8]/[C@@H:9]1[C@@H:14]([CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22])[C:12](=[O:13])[CH2:11][C@H:10]1[OH:24].C1C=CC=CC=1.O1CCOCC1CC(O)=O>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][C@H:6]([OH:25])/[CH:7]=[CH:8]/[C@@H:9]1[C@@H:14]([CH2:15]/...
1
FC=1C=C(C=CC1F)B(O)O.BrC=1C=NC=C2C=CC(=NC12)C(=O)NCCS(=O)(=O)C>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>FC=1C=C(C=CC1F)C=1C=NC=C2C=CC(=NC12)C(=O)NCCS(=O)(=O)C
3
CC=1C(OC[C@H](N1)C1=CC=CC=C1)=O>>C[C@H]1C(OC[C@H](N1)C1=CC=CC=C1)=O
5
CSCS(=O)C.ClC1=CC=C(CCNC(C2=CC=C(C=C2)OC2=C(C=C(C=C2)C=O)C2CC2)=O)C=C1>C1CCCO1.[OH-].C(C1=CC=CC=C1)[N+](C)(C)C>ClC1=CC=C(CCNC(C2=CC=C(C=C2)OC2=C(C=C(C=C2)\C=C(\SC)/S(=O)C)C2CC2)=O)C=C1
3
[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[C:5]2=O.[C:13]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=1)(=O)[CH3:14].CC[OH:24].CC(O)=O>[OH-].[K+]>[Br:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]=[C:13]([C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][N:17]=1)[CH:14]=[C:5]2[C:6]([OH:11])=[O:24]
1
CS(=O)(=O)Cl.C(C)N1C(C=CC=C1CO)=O>>C(C)N1C(C=CC=C1COS(=O)(=O)C)=O
5
C(C)(=O)C=1C(=NC2=CC(=C(C=C2C1C1=CC(=C(C=C1)OC)OC)OC)OC)CBr>ClCCl.C(C)NCC>C(C)(=O)C=1C(=NC2=CC(=C(C=C2C1C1=CC(=C(C=C1)OC)OC)OC)OC)CN(CC)CC
3
C(C)OC=1C=CC(=C(C1)B(O)O)F.BrC1=CC(=NC=C1CC)[C@@H]1N[C@]2(CC1)C(N(CC2)C)=O>CC#N.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].C([O-])([O-])=O.[Na+].[Na+]>C(C)OC=1C=CC(=C(C1)C1=CC(=NC=C1CC)[C@@H]1N[C@]2(CC1)C(N(CC2)C)=O)F
3
FC1=CC=C(C(=O)Cl)C=C1.Cl.NC1CC=C(CC1)C>ClCCl.c1ccncc1>FC1=CC=C(C(=O)NC2CC=C(CC2)C)C=C1
3
[CH2:1]([C:4]1[CH:17]=[CH:16][C:15]2[C:14]3[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=3)[CH2:8][CH2:7][C:6]=2[CH:5]=1)[CH2:2][CH3:3].S(=O)(=O)(O)O.II.O.[I:26](O)(=O)(=O)=O.S([O-])(O)=O.[Na+]>ClCCCl.C(Cl)Cl.O.C(O)(=O)C>[I:26][C:11]1[CH:12]=[CH:13][C:14]2[C:15]3[C:6](=[CH:5][C:4]([CH2:1][CH2:2][CH3:3])=[CH:17][CH:16]=3)[CH2:7]...
1
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]([C:17]3[CH:22]=[CH:21][C:20]([S:23]([CH3:26])(=[O:25])=[O:24])=[CH:19][CH:18]=3)=[N:10][NH:11][C:12]=2[C:13]([F:16])([F:15])[F:14])=[CH:4][CH:3]=1.Br[CH2:28][C:29]([O:31][CH2:32][CH3:33])=[O:30].C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.C(OCC)(=O)C>[CH2:32]([O:31][C:29](=[O:30])[CH2:2...
1
FC1=NC(=CC=C1F)F>>FC1=NC(=C(C=C1F)[N+](=O)[O-])F
5
[F:1][C:2]1[C:3](B2OC(C)(C)C(C)(C)O2)=[CH:4][CH:5]=[C:6]2[C:10]=1[N:9]([Si](C(C)C)(C(C)C)C(C)C)[CH:8]=[CH:7]2.[NH2:30][C:31]1[C:36]([F:37])=[C:35](Cl)[N:34]=[C:33]([C:39]([O:41][CH3:42])=[O:40])[C:32]=1[Cl:43].[F-].[Cs+].[Na+].[Cl-]>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...
1
[Br:1][C:2]1[C:10]2[C:5](=[C:6]([C@H:12]([O:14][CH2:15][C:16]3([C:22]4[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=4)[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]3)[CH3:13])[CH:7]=[C:8]([Br:11])[CH:9]=2)[NH:4][N:3]=1.C=O.[C:31]([BH3-])#N.[Na+].O>C(#N)C.C(O)(=O)C>[Br:1][C:2]1[C:10]2[C:5](=[C:6]([C@H:12]([O:14][CH2:15][C:16]3(...
1
C(C)(C)(C)OC(CN)=O.C(CCC)C1(CS(C2=C(C(N1)C1=CC=CC=C1)C=C(C(=C2)C=O)OC)(=O)=O)CCCC>ClCCl.C(C)(=O)OCC.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(CCC)C1(CS(C2=C(C(N1)C1=CC=CC=C1)C=C(C(=C2)CNCC(=O)OC(C)(C)C)OC)(=O)=O)CCCC
3
Cl[CH:2]([CH3:16])[C:3]([NH:5][CH:6]1[CH:13]2[CH2:14][CH:9]3[CH2:10][CH:11]([CH2:15][CH:7]1[CH2:8]3)[CH2:12]2)=[O:4].C(=O)([O-])[O-].[Na+].[Na+].[O:23]1[CH:27]=[CH:26][CH:25]=[C:24]1[C:28]([N:30]1[CH2:35][CH2:34][NH:33][CH2:32][CH2:31]1)=[O:29]>CN(C)C=O>[CH:7]12[CH2:15][CH:11]3[CH2:10][CH:9]([CH2:14][CH:13]([CH2:12]3)[...
2
[Cl:1][C:2]1[CH:3]=[C:4]([NH:8][CH:9]([C:13]2[C:18]([Cl:19])=[CH:17][CH:16]=[CH:15][C:14]=2[Cl:20])[C:10]([OH:12])=[O:11])[CH:5]=[CH:6][CH:7]=1.CN(C)P(N(C)C)(N(C)C)=O.[H-].[Na+].[CH2:34](I)[CH3:35]>C1C=CC=CC=1>[CH2:34]([N:8]([C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([Cl:1])[CH:3]=1)[CH:9]([C:13]1[C:18]([Cl:19])=[CH:17][CH:16]=[C...
1
CC(C)=CCC[C@@H](CCCCC)C>C(C)OCC.ClCCl.CC(=O)C.CC(=O)C.OS(=O)(=O)O.O=[Cr](=O)=O>C[C@@H](CCC(=O)O)CCCCC
3
CC1CCC=2N(C1)N=CC2>CC#N.IN1C(CCC1=O)=O>IC=1C=NN2C1CCC(C2)C
3
FC(C=1C=C(NN1)C(=O)O)(F)F.N[C@H](CN1N=C(C=C1)C1=C(C(=C(C#N)C=C1)Cl)C)C>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC=1C(=C(C=CC1C#N)C1=NN(C=C1)C[C@H](C)NC(=O)C1=NNC(=C1)C(F)(F)F)C
3
BrCCC.BrC1=C(C=C(C=C1)Br)S(=O)(=O)N[C@H]1CN(CC1)C(=O)OC(C)(C)C>N(C)(C)C=O.[H-].[Na+]>BrC1=C(C=C(C=C1)Br)S(=O)(=O)N([C@H]1CN(CC1)C(=O)OC(C)(C)C)CCC
3
C1([C@H](N)[C@H](C2C=CC=CC=2)N)C=CC=CC=1.CC(C)([O-])C.[K+].[CH3:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=1[C:30]([CH:32]1[CH2:34][CH2:33]1)=[O:31]>C(O)(C)C>[CH:32]1([C@H:30]([C:25]2[CH:26]=[CH:27][CH:28]=[CH:29][C:24]=2[CH3:23])[OH:31])[CH2:33][CH2:34]1
1
[Br:1][C:2]1[CH:3]=[C:4]([CH2:10][CH2:11][NH:12][C:13]2[N:18]=[CH:17][C:16]([CH2:19][CH3:20])=[CH:15][N:14]=2)[CH:5]=[CH:6][C:7]=1[O:8]C.[F:21][C:22]([F:32])([F:31])[C:23]1[CH:30]=[CH:29][C:26]([CH2:27]Br)=[CH:25][CH:24]=1>>[Br:1][C:2]1[CH:3]=[C:4]([CH2:10][CH2:11][N:12]([C:13]2[N:18]=[CH:17][C:16]([CH2:19][CH3:20])=[C...
1
[CH2:1]([N:8]1[CH:13]=[C:12]([CH3:14])[C:11](=[O:15])[N:10]([CH2:16][C:17]2([CH2:20][OH:21])[CH2:19][CH2:18]2)[C:9]1=[O:22])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(N(CC)CC)C.C(Cl)Cl.[CH3:33][S:34](Cl)(=[O:36])=[O:35]>O>[CH3:33][S:34]([O:21][CH2:20][C:17]1([CH2:16][N:10]2[C:11](=[O:15])[C:12]([CH3:14])=[CH:13][N:8]([...
1
[CH2:1]([C:8]#[N:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].[CH2:10]([CH2:12]N)[OH:11]>O.O.C([O-])(=O)C.[Cd+2].C([O-])(=O)C>[CH2:1]([C:8]1[O:11][CH2:10][CH2:12][N:9]=1)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7]
1
[CH2:1]([O:8][C:9]1[C:10](=[O:29])[CH:11]=[C:12]([CH2:17][NH:18][S:19]([C:22]2[CH:27]=[CH:26][CH:25]=[C:24]([CH3:28])[CH:23]=2)(=[O:21])=[O:20])[O:13][C:14]=1[CH2:15][OH:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OC1C(=O)C=C(CNS(C2C=CC=CC=2)(=O)=O)OC=1C=O)C1C=CC=CC=1>>[CH2:1]([O:8][C:9]1[C:10](=[O:29])[CH:11]=[C:12...
1