HRID665459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

结构：CC(C)(CO)CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1

HCID21956251

未命名化合物

HCID53778541

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CO)CNS(=O)(=O)Cc1ccc(NC=C2C(=O)Nc3ccc4ncsc4c32)cc1

HCID178450616

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-790201bd11bc4a61a1f5a25c5422d08a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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