HRID136533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：Cc1ccc(S(=O)(=O)OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1

HCID11326777

未命名化合物

HCID54450181

未命名化合物

PRODUCTS

生成物

结构：CCSC(Cc1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)C(=O)OC

HCID54420878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-674316d1f186400389388f76eb4e87fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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