HRID96903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID638670

ethyl 3-formyl-4-methoxybenzoate

C11H12O4

HCID15819199

未命名化合物

结构：CCOC(=O)c1ccc(OC)c(C=Cc2ccc(C(F)(F)F)cc2)c1

HCID67002584

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)O)cc1C=Cc1ccc(C(F)(F)F)cc1

HCID67002414

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c19153362737474393f9c39a20098977
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]([CH:14]=[CH:15][c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[cH:5][c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12][cH:13]1.[CH:45]([c:46]1[cH:47][c:48]([C:54]([O:55][CH2:56][CH3:57])=[O:58])[cH:49][cH:50][c:51]1[O:52][CH3:53])=[O:59].[F:26][C:27]([F:28])([F:29])[c:30]1[cH:31][cH:32][c:33]([CH2:34][P:35](=[O:36])([O:37][CH2:38][CH3:39])[O:40][CH2:41][CH3:42])[cH:43][cH:44]1>>[CH3:1][O:2][c:3]1[c:4]([CH:14]=[CH:15][c:16]2[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]2)[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:12][cH:13]1