HRID823679

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6367

Acetyl chloride

C2H3ClO

HCID6395

Methanesulfonic acid

CH4O3S

结构：Cc1ccc(Oc2ccc(C(O)CNC(C)(C)C)cc2Oc2ccc(C)cc2)cc1

HCID21319975

未命名化合物

PRODUCTS

生成物

HCID85257

Methanesulfonate

CH3O3S-

结构：CC(=O)OC(CNC(C)(C)C)c1ccc(Oc2ccc(C)cc2)c(Oc2ccc(C)cc2)c1

HCID53961524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db924b0388094e0596807e88d257827f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:36][C:37]([Cl:38])=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[c:6]1([CH3:35])[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][c:15]([CH:16]([CH2:17][NH:18][C:19]([CH3:20])([CH3:21])[CH3:22])[OH:23])[cH:24][cH:25][c:26]2[O:27][c:28]2[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[cH:10][cH:11]1>>[CH3:1][S:2](=[O:3])(=[O:4])[O-:5].[c:6]1([CH3:35])[cH:7][cH:8][c:9]([O:12][c:13]2[cH:14][c:15]([CH:16]([CH2:17][NH:18][C:19]([CH3:20])([CH3:21])[CH3:22])[O:23][C:37]([CH3:36])=[O:39])[cH:24][cH:25][c:26]2[O:27][c:28]2[cH:29][cH:30][c:31]([CH3:34])[cH:32][cH:33]2)[cH:10][cH:11]1