HRID1132526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)C(C)(OCc1ccc2ccccc2c1)C(F)(F)F

HCID13384286

未命名化合物

结构：COC(=O)C(C)(OCc1ccc2cc(Cl)ccc2c1)C(F)(F)F

HCID13384288

未命名化合物

结构：COC(=O)C(C)(OCc1cccc2ccccc12)C(F)(F)F

HCID13384292

未命名化合物

PRODUCTS

生成物

结构：CC(OCc1ccc2cc(Cl)ccc2c1)(C(=O)O)C(F)(F)F

HCID13384289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-622cb103ece341c1a45bcc8832637f16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][O:13][C:14]([C:15](=[O:16])[O:17][CH3:18])([C:19]([F:20])([F:21])[F:22])[CH3:23])[cH:8][c:9]2[cH:10][cH:11]1.[c:46]1([CH2:47][O:48][C:49]([CH3:50])([C:51]([F:52])([F:53])[F:54])[C:55]([O:56][CH3:57])=[O:58])[c:59]2[c:60]([cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67]1.[cH:24]1[c:25]2[c:26]([cH:27][cH:28][cH:29][cH:30]2)[cH:31][cH:32][c:33]1[CH2:34][O:35][C:36]([CH3:37])([C:38]([F:39])([F:40])[F:41])[C:42]([O:43][CH3:44])=[O:45]>>[Cl:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]([CH2:12][O:13][C:14]([C:15](=[O:16])[OH:17])([C:19]([F:20])([F:21])[F:22])[CH3:23])[cH:8][c:9]2[cH:10][cH:11]1