HRID1150569

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID7502

4-Vinylpyridine

C7H7N

HCID8471

Triethylamine

C6H15N

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID103954

Dimethyl 5-bromoisophthalate

C10H9BrO4

HCID105144

Palladium(2+)

Pd+2

PRODUCTS

生成物

结构：COC(=O)c1cc(C=Cc2ccncc2)cc(C(=O)OC)c1

HCID69913671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-809732574d1844e88dfc803dc556c030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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