HRID311359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

7 次

HCID6344

Dichloromethane

CH2Cl2

HCID22746659

未命名化合物

HCID71440607

未命名化合物

PRODUCTS

产物

HCID9968254

4-[3,5-Difluoro-4-(methylsulfonyl)phenyl]-3-phenylfuran-2(5h)-one

C17H12F2O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-eb713cb2506c4addab8f9e9077a8b3a2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[C:30]([O:31][O-:32])(=[O:33])[c:34]1[c:35]([C:40]([O-:41])=[O:42])[cH:36][cH:37][cH:38][cH:39]1.[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[F:1][c:2]1[cH:3][c:4]([C:11]2=[C:12]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[C:13](=[O:16])[O:14][CH2:15]2)[cH:5][c:6]([F:10])[c:7]1[S:8][CH3:9].[Mg+2:43].[OH2:23].[OH2:24].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29]>>[F:1][c:2]1[cH:3][c:4]([C:11]2=[C:12]([c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[C:13](=[O:16])[O:14][CH2:15]2)[cH:5][c:6]([F:10])[c:7]1[S:8]([CH3:9])(=[O:23])=[O:24]