HRID1131641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6555

1-Bromo-2-methylpropane

C4H9Br

HCID31374

Dimethylacetamide

C4H9NO

HCID166653

Hydride

H-

结构：CS(=O)(=O)c1cccc(-c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)s2)c1

HCID67442144

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)S(=O)(=O)c1cccc(Cl)c1

HCID25234384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d3a202eddf6418da08c797c7594fbc1
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

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