HRID1228332

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8821

Ethyl acrylate

C5H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID821848

4-Bromo-3-fluoroaniline

C6H5BrFN

PRODUCTS

生成物

HCID53987187

Ethyl 3-(4-amino-2-fluorophenyl)prop-2-enoate

C11H12FNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a29b79bb7ac497dbde933f7a0b28275
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:9])[cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[C:10]([CH:11]=[CH2:12])(=[O:13])[O:14][CH2:15][CH3:16].[C:53]([O-:54])(=[O:55])[CH3:56].[C:58]([O-:59])(=[O:60])[CH3:61].[CH3:17][c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[P:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[CH3:31])[c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[CH3:38].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[Pd+2:57]>>[c:2]1([CH:12]=[CH:11][C:10](=[O:13])[O:14][CH2:15][CH3:16])[c:3]([F:9])[cH:4][c:5]([NH2:6])[cH:7][cH:8]1