HRID1144574

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17973091

未命名化合物

结构：COc1c(NC(=O)c2ccc(C)c(N=[N+]=[N-])c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID21079202

未命名化合物

HCID21097367

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cc(C(C)(C)C)cc(NS(C)(=O)=O)c2C)cc1N=[N+]=[N-]

HCID21097304

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5dd66c3337674b7aabca007d27be212e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][c:12]1[CH3:13].[N:31]([c:32]1[cH:33][c:34]([C:39]([NH:40][c:41]2[cH:42][c:43]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:48][c:49]([NH:50][S:51]([CH3:52])(=[O:53])=[O:54])[c:55]2[O:56][CH3:57])=[O:58])[cH:35][cH:36][c:37]1[CH3:38])=[N+:59]=[N-:60].[NH2:14][c:15]1[c:16]([CH3:30])[c:17]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:20]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:14][c:15]2[c:16]([CH3:30])[c:17]([NH:25][S:26](=[O:27])(=[O:28])[CH3:29])[cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:20]2)[cH:10][cH:11][c:12]1[CH3:13]