HRID122106

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID14345

3',4',5'-Trimethoxyacetophenone

C11H14O4

HCID16115916

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(-c2cc3ccccc3s2)cc1C=CC(=O)c1cc(OC)c(OC)c(OC)c1

HCID69493879

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce3c57cf48b242d488a2701da8fa4247
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

[CH3:1][O:2][c:3]1[cH:4][c:5]([C:13]([CH3:14])=[O:15])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:39][CH2:40][OH:41].[Na+:17].[OH-:16].[s:18]1[c:19]2[c:20]([cH:21][c:22]1-[c:23]1[c:24]([O:33][CH3:34])[cH:25][c:26]([O:31][CH3:32])[c:27]([CH:28]=[O:29])[cH:30]1)[cH:35][cH:36][cH:37][cH:38]2>>[CH3:1][O:2][c:3]1[cH:4][c:5]([C:13]([CH:14]=[CH:28][c:27]2[c:26]([O:31][CH3:32])[cH:25][c:24]([O:33][CH3:34])[c:23](-[c:22]3[s:18][c:19]4[c:20]([cH:21]3)[cH:35][cH:36][cH:37][cH:38]4)[cH:30]2)=[O:15])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]