HRID1221861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7251

4-Chloro-2-methylaniline

C7H8ClN

结构：Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Br)cc1Cl

HCID11494123

未命名化合物

结构：Cc1ccc([N+](=O)[O-])cc1C(=O)c1ccc(Nc2ccc(C(F)(F)F)cc2)cc1Cl

HCID68419760

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1Nc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2C)c(Cl)c1

HCID68416515

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04dcbe18040a4fd9bfc79efdc2f8397f
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

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