HRID1114132

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10214710

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

HCID58784912

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2cc(F)c(C)c(N=[N+]=[N-])c2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID17973068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91e59bb94d7b4a1dad7f6980fe74f2be
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][c:11]([F:14])[c:12]1[CH3:13].[N:33]([c:34]1[cH:35][c:36]([C:41]([NH:42][c:43]2[cH:44][c:45]([C:46]([CH3:47])([CH3:48])[CH3:49])[cH:50][c:51]([NH:52][S:53]([CH3:54])(=[O:55])=[O:56])[c:57]2[O:58][CH3:59])=[O:60])[cH:37][cH:38][c:39]1[CH3:40])=[N+:61]=[N-:62].[NH2:15][c:16]1[c:17]([O:31][CH3:32])[c:18]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:19][c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][c:6]([C:7](=[O:9])[NH:15][c:16]2[c:17]([O:31][CH3:32])[c:18]([NH:26][S:27](=[O:28])(=[O:29])[CH3:30])[cH:19][c:20]([C:22]([CH3:23])([CH3:24])[CH3:25])[cH:21]2)[cH:10][c:11]([F:14])[c:12]1[CH3:13]