HRID302143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID90078

3,5-Dichloro-2-hydroxybenzenesulphonyl chloride

C6H3Cl3O3S

结构：CC(C)CNCc1cc(Cl)cc(CN(CC(C)C)C(=O)OC(C)(C)C)c1

HCID66616572

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1cc(Cl)cc(CN(CC(C)C)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1)C(=O)OC(C)(C)C

HCID58531453

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aeab07b9f56a4d8e84b4ee7e0510fd1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]([C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[CH2:14][CH:15]([CH3:16])[CH3:17])[cH:18][c:19]([CH2:21][NH:22][CH2:23][CH:24]([CH3:25])[CH3:26])[cH:20]1.[Cl:34][c:35]1[c:36]([OH:46])[c:37]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:38][c:39]([Cl:41])[cH:40]1.[Cl:47][CH2:48][Cl:49].[OH2:50]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:5][N:6]([C:7]([O:8][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:13])[CH2:14][CH:15]([CH3:16])[CH3:17])[cH:18][c:19]([CH2:21][N:22]([CH2:23][CH:24]([CH3:25])[CH3:26])[S:42]([c:37]2[c:36]([OH:46])[c:35]([Cl:34])[cH:40][c:39]([Cl:41])[cH:38]2)(=[O:43])=[O:44])[cH:20]1