HRID196448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID5943

Carbon tetrachloride

CCl4

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7761

Diethyl propanedioate

C7H12O4

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID5462224

Magnesium

HCID11805514

2,4,5-Trifluoro-3-methylbenzoic acid

C8H5F3O2

PRODUCTS

生成物

HCID14052572

Ethyl 3-oxo-3-(2,4,5-trifluoro-3-methylphenyl)propanoate

C12H11F3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26d34aa5c10f439cbb27395277479f48
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

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