HRID313647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric Acid

C6H8O7

HCID312

Chloride

Cl-

2 次

HCID888

Magnesium cation

Mg+2

HCID5783

2,3,4-Trichlorobenzoic acid

C7H3Cl3O2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID70615

Ethyl hydrogen malonate

C5H8O4

HCID5250894

未命名化合物

HCID5462222

Potassium

PRODUCTS

生成物

HCID53401267

Ethyl 3-oxo-3-(2,3,4-trichlorophenyl)propanoate

C11H9Cl3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e858e03d877b4037b102fca21460e412
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:13]([c:14]1[nH:15][cH:16][cH:17][n:18]1)([c:19]1[nH:20][cH:21][cH:22][n:23]1)=[O:24].[CH2:26]([CH3:27])[O:28][C:29]([CH2:30][C:31]([OH:32])=[O:33])=[O:34].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl-:42].[Cl-:44].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][cH:8][c:9]([Cl:12])[c:10]1[Cl:11].[K:25].[Mg+2:43].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH:45][C:46]([CH2:47][C:48]([C:49](=[O:50])[OH:51])([CH2:52][C:53](=[O:54])[OH:55])[OH:56])=[O:57]>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[CH2:30][C:29]([O:28][CH2:26][CH3:27])=[O:34])[cH:7][cH:8][c:9]([Cl:12])[c:10]1[Cl:11]