HRID213880

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID85518

2-Thiophenesulfonyl chloride

C4H3ClO2S2

结构：CC(C)CNCc1ccc(-c2cccc(S(C)(=O)=O)c2)s1

HCID67441398

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)c1cccs1

HCID25235122

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d1cb2f818904d389597b850c155b94a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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