HRID1113086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)c1ccc(-c2ccc(-c3sccc3NS(=O)(=O)C(C)C)cc2)c(OCC)c1

HCID58769100

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(=O)O)ccc1-c1ccc(-c2sccc2NS(=O)(=O)C(C)C)cc1

HCID15605608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0e9adecde37445c961a1fd754788869
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([O:30][CH2:31][CH3:32])[c:9](-[c:12]2[cH:13][cH:14][c:15](-[c:18]3[s:19][cH:20][cH:21][c:22]3[NH:23][S:24](=[O:25])(=[O:26])[CH:27]([CH3:28])[CH3:29])[cH:16][cH:17]2)[cH:10][cH:11]1.[CH3:35][S:36]([CH3:37])=[O:38].[CH3:39][CH2:40][OH:41].[Na+:34].[OH-:33].[OH2:42]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]([O:30][CH2:31][CH3:32])[c:9](-[c:12]2[cH:13][cH:14][c:15](-[c:18]3[s:19][cH:20][cH:21][c:22]3[NH:23][S:24](=[O:25])(=[O:26])[CH:27]([CH3:28])[CH3:29])[cH:16][cH:17]2)[cH:10][cH:11]1