HRID677768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7943

Dimethyl malonate

C5H8O4

HCID96749

2-Bromo-1-(4-fluorophenyl)ethan-1-one

C8H6BrFO

HCID166653

Hydride

H-

HCID735823

2-Bromo-1-[4-(methanesulfonyl)phenyl]ethan-1-one

C9H9BrO3S

PRODUCTS

生成物

结构：COC(=O)C(CC(=O)c1ccc(F)cc1)(CC(=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC

HCID10322194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb0f5cc5202447058d2329d9320e8327
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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