HRID1572403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID212595

Benzoic acid, 3-formyl-4-hydroxy-, methyl ester

C9H8O4

HCID53376485

未命名化合物

结构：COC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)c(C2=CCCC2(C)C)c1

HCID57467618

未命名化合物

PRODUCTS

生成物

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

HCID57467631

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e8fdbd384194c29a8b7179fb3f1aaaa
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

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