HRID196672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2734272

5-chloro-2-methoxybenzenesulfonyl chloride

C7H6Cl2O3S

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：COc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)s1)CC(C)C

HCID25235124

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-337ff4c741dd4484b311463f586dde52
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:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:22][c:23]1[cH:24][cH:25][c:26]([O:33][CH3:34])[c:27]([S:29](=[O:30])(=[O:31])[Cl:32])[cH:28]1.[Cl:44][CH2:45][Cl:46]>>[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:29]([c:27]1[c:26]([O:33][CH3:34])[cH:25][cH:24][c:23]([Cl:22])[cH:28]1)(=[O:30])=[O:31]