HRID177295

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID137806

Benzeneacetic acid, α-bromo-, methyl ester

C9H9BrO2

结构：Cc1c(C)c2c(c(C)c1O)C(c1ccc(C(C)C)cc1)C(C)(C)O2

HCID10881888

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Oc1c(C)c(C)c2c(c1C)C(c1ccc(C(C)C)cc1)C(C)(C)O2)c1ccccc1

HCID10116253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07ed063d43324b80a40ab7b6d3966065
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:25][CH:26]([C:27](=[O:28])[O:29][CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([OH:21])[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[C:11]([CH3:23])([CH3:24])[O:12][c:13]3[c:14]2[c:15]([CH3:22])[c:16]([O:21][CH:26]([C:27](=[O:28])[O:29][CH3:30])[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:17]([CH3:20])[c:18]3[CH3:19])[cH:8][cH:9]1