HRID114175

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

HCID8821

Ethyl acrylate

C5H8O2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

HCID10108680

2-Bromo-5-iodo-3-methylpyridine

C6H5BrIN

PRODUCTS

生成物

HCID90767858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d85fe101be142b78963f6b47722f890
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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