HRID1236574

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

HCID21097353

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2S(C)=O)cc1N=[N+]=[N-]

HCID21097300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8032e4b70c754e8a913b0dc594456832
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:14]([CH3:15])([CH3:16])([CH3:17])[c:18]1[cH:19][cH:20][c:21]([S:25](=[O:26])[CH3:27])[c:22]([NH2:24])[cH:23]1.[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:28]([c:29]1[cH:30][c:31]([C:36]([NH:37][c:38]2[cH:39][c:40]([C:41]([CH3:42])([CH3:43])[CH3:44])[cH:45][c:46]([NH:47][S:48]([CH3:49])(=[O:50])=[O:51])[c:52]2[O:53][CH3:54])=[O:55])[cH:32][cH:33][c:34]1[CH3:35])=[N+:56]=[N-:57]>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:24][c:22]2[c:21]([S:25](=[O:26])[CH3:27])[cH:20][cH:19][c:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:23]2)[cH:10][cH:11][c:12]1[CH3:13]