HRID1219251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID61186

Valeryl chloride

C5H9ClO

HCID166653

Hydride

H-

HCID10032193

未命名化合物

PRODUCTS

产物

HCID10078663

5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2-[2-chloro-5-(valerylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one

C37H37Cl2N5O5S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8aea92733e464c828db22e0d30c72ea4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[C:47]([CH2:48][CH2:49][CH2:50][CH3:51])(=[O:52])[Cl:53].[H-:45].[NH2:1][c:2]1[cH:3][cH:4][c:5]([Cl:44])[c:6](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:7]1.[Na+:46]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([Cl:44])[c:6](-[n:8]2[n:9][c:10]([CH2:40][CH2:41][CH2:42][CH3:43])[n:11]([CH2:14][c:15]3[cH:16][cH:17][c:18](-[c:21]4[c:22]([S:27]([NH:28][C:29]([c:30]5[c:31]([Cl:36])[cH:32][cH:33][cH:34][cH:35]5)=[O:37])(=[O:38])=[O:39])[cH:23][cH:24][cH:25][cH:26]4)[cH:19][cH:20]3)[c:12]2=[O:13])[cH:7]1)[C:47]([CH2:48][CH2:49][CH2:50][CH3:51])=[O:52]