HRID155499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID62412

tert-Butyl isocyanate

C5H9NO

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CN)c1

HCID59455974

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1c(NS(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)NC(C)(C)C)c1

HCID58054419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16030f92886f47388cca2ba15c34844a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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