查数据/反应详情

HRID696984

反应详情

EQUATION

反应方程式

HRID 696984 的结构方程式

REACTANTS

反应物

2

结构：C=C(C)C(=O)OC

Methyl methacrylate

C5H8O2

结构：CC(O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

未命名化合物

PRODUCTS

生成物

1

结构：C=C(C)C(=O)OC(C)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00b4991e71004811ae99ef6bdf03f1d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][CH2:17][CH:18]([CH3:19])[OH:20])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11].[CH3:21][O:22][C:23]([C:24](=[CH2:25])[CH3:26])=[O:27]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([CH2:16][CH2:17][CH:18]([CH3:19])[O:20][C:23](=[O:22])[C:24](=[CH2:25])[CH3:26])[cH:8][c:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[c:10]1[OH:11]

AIchem 开放数据计划：mail@huagongshe.com