HRID1561811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7501

Styrene

C8H8

HCID7912

Diisopropylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID105144

Palladium(2+)

Pd+2

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(I)ccc1O

HCID11190699

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-benzamide

C15H8F6INO2

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C=Cc2ccccc2)ccc1O

HCID72821885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3391cd2a1b6d4d2197f25e03e4b603b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:63]([O-:64])(=[O:65])[CH3:66].[C:68]([O-:69])(=[O:70])[CH3:71].[CH2:26]=[CH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:56]([NH:57][CH:58]([CH3:59])[CH3:60])([CH3:61])[CH3:62].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[c:16]([OH:22])[cH:17][cH:18][c:19]([I:21])[cH:20]2)=[O:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25].[OH2:72].[Pd+2:67].[c:34]1([CH3:35])[cH:36][cH:37][cH:38][cH:39][c:40]1[P:41]([c:42]1[cH:43][cH:44][cH:45][cH:46][c:47]1[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1[CH3:55]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[c:16]([OH:22])[cH:17][cH:18][c:19]([CH:26]=[CH:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[cH:20]2)=[O:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25]