HRID151423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCC(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1F)C(=O)OC(C)(C)C

HCID25059733

Tert-butyl 2-(2-fluoro-4-(3-oxo-3-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)propyl)phenoxy)butanoate

C28H28F4O4S

PRODUCTS

生成物

结构：CCC(Oc1ccc(CCC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3)s2)cc1F)C(=O)O

HCID25059734

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-de94b0b9946f48c28a9aceb712c9172a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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