HRID299773

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID3806114

未命名化合物

结构：CC1(C)OC(=O)C(c2cccc(F)c2)=C1c1ccc(S(C)(=O)=O)cc1

HCID9906892

3-(3-Fluorophenyl)-5,5-dimethyl-4-[4-(methylsulfonyl)phenyl]-2(5H)-furanone

C19H17FO4S

PRODUCTS

生成物

HCID9863787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7d6ef78ef9e45c0bc3f0f30cce112b1
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:39]([CH:40]([CH:41]([C:42]([O-:43])=[O:44])[OH:45])[OH:46])([O-:47])=[O:48].[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:1][C:2]1([CH3:25])[C:3]([c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)=[C:4]([c:8]2[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]2)[C:5](=[O:7])[O:6]1.[CH3:26][CH:27]([CH2:28][AlH:29][CH2:30][CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:35][C:36](=[O:37])[CH3:38].[CH3:56][OH:57].[K+:50].[Na+:49]>>[CH3:1][C:2]1([CH3:25])[C:3]([c:15]2[cH:16][cH:17][c:18]([S:21](=[O:22])(=[O:23])[CH3:24])[cH:19][cH:20]2)=[C:4]([c:8]2[cH:9][c:10]([F:14])[cH:11][cH:12][cH:13]2)[CH:5]([OH:7])[O:6]1