HRID1573475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CCCOc1c(OCc2ccccc2)cc(C(=O)CCC(=O)c2cc(OC)c(OC)c(OC)c2)cc1SC

HCID10098743

未命名化合物

PRODUCTS

生成物

HCID10443524

2-Propen-1-one, 1-(3,4,5-trimethoxyphenyl)-

C12H14O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e60d206754404ab999bf5feb937f351e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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