HRID181499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID5462224

Magnesium

HCID11020027

6-Fluoro-1-(propan-2-yl)-3,4-dihydronaphthalen-2(1H)-one

C13H15FO

结构：Cc1ccc(S(=O)(=O)OCCC2(O)CCc3cc(F)ccc3C2C(C)C)cc1

HCID54277959

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)OC(C)(C)C

HCID178438328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d7e248d31d0497890eca40ec31d01dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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