HRID86446

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID78828

2,3-Dimethoxyphenol

C8H10O3

HCID87922

1,3-Difluoro-2-nitrobenzene

C6H3F2NO2

结构：COc1cccc(Oc2cccc(F)c2NC(=O)Nc2nccs2)c1OC

HCID59732837

未命名化合物

HCID66998905

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Oc2cccc(F)c2[N+](=O)[O-])c1OC

HCID66999009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf84c6b1868545f39e2023e0629af8de
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:1][O:2][c:3]1[c:4]([OH:11])[cH:5][cH:6][cH:7][c:8]1[O:9][CH3:10].[CH3:23][O:24][c:25]1[c:26]([O:27][CH3:28])[cH:29][cH:30][cH:31][c:32]1[O:33][c:34]1[cH:35][cH:36][cH:37][c:38]([F:39])[c:40]1[NH2:41].[CH3:42][O:43][c:44]1[c:45]([O:46][CH3:47])[cH:48][cH:49][cH:50][c:51]1[O:52][c:53]1[cH:54][cH:55][cH:56][c:57]([F:58])[c:59]1[NH:60][C:61]([NH:62][c:63]1[s:64][cH:65][cH:66][n:67]1)=[O:68].[F:12][c:13]1[c:14]([N+:20](=[O:21])[O-:22])[c:15]([F:19])[cH:16][cH:17][cH:18]1.[NH2:69][c:70]1[s:71][cH:72][cH:73][n:74]1>>[CH3:1][O:2][c:3]1[c:4]([O:11][c:13]2[c:14]([N+:20](=[O:21])[O-:22])[c:15]([F:19])[cH:16][cH:17][cH:18]2)[cH:5][cH:6][cH:7][c:8]1[O:9][CH3:10]