HRID1543660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID59846167

未命名化合物

HCID59846176

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)CNS(=O)(=O)c1ccc(C=CC(=O)c2ccc(Cl)cc2Nc2ccccc2)cc1

HCID66815809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f66a54579d1f45f79a641b82e5a035f4
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

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