HRID292447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7294

Methyl acrylate

C4H6O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID821848

4-Bromo-3-fluoroaniline

C6H5BrFN

PRODUCTS

生成物

HCID68485453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebe6a5d3007f4134b7f16fc77bf0fc3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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][CH3:15].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O-:65])(=[O:66])[CH3:67].[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][c:22]1[P:23]([c:24]1[cH:25][cH:26][cH:27][cH:28][c:29]1[CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1[CH3:37].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH:50]([N:51]([CH2:52][CH3:53])[CH:54]([CH3:55])[CH3:56])([CH3:57])[CH3:58].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[Pd+2:63]>>[c:2]1([CH:12]=[CH:11][C:10](=[O:13])[O:14][CH3:15])[c:3]([F:9])[cH:4][c:5]([NH2:6])[cH:7][cH:8]1