HRID1553833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7319

3-Nitro-p-toluic acid

C8H7NO4

HCID67687

3-Fluoro-p-toluic acid

C8H7FO2

结构：COC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)c(F)c1

HCID54449624

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C=Cc2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1

HCID53957430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-799d6f4ee23847c8b84b455be1e7cdd3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:25]([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[O:32][c:33]1[c:34]([CH:39]=[CH:40][c:41]2[c:42]([F:51])[cH:43][c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:49][cH:50]2)[cH:35][cH:36][cH:37][cH:38]1.[F:14][c:15]1[cH:16][c:17]([C:22]([OH:23])=[O:24])[cH:18][cH:19][c:20]1[CH3:21].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:11]([OH:12])=[O:13])[cH:7][cH:8][c:9]1[CH3:10]>>[N+:1](=[O:2])([O-:3])[c:42]1[c:41]([CH:40]=[CH:39][c:34]2[c:33]([O:32][CH2:25][c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:38][cH:37][cH:36][cH:35]2)[cH:50][cH:49][c:44]([C:45](=[O:46])[O:47][CH3:48])[cH:43]1