HRID180643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID888

Magnesium cation

Mg+2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7761

Diethyl propanedioate

C7H12O4

HCID9084

Malonic acid, ion(2-)

C3H2O4-2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID16766583

4-(4-Chlorophenyl)oxane-4-carboxylic acid

C12H13ClO3

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)C(=O)C1(c2ccc(Cl)cc2)CCOCC1

HCID67100011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-41861b323def4b99b2273d0a230a47b7
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:23]([CH2:24][C:25](=[O:26])[O:27][CH2:28][CH3:29])(=[O:30])[O:31][CH2:32][CH3:33].[C:37]([O-:38])(=[O:39])[CH2:40][C:41]([O-:42])=[O:43].[Cl-:34].[Cl-:36].[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:15])[OH:16])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[ClH:44].[Mg+2:35].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14](=[O:16])[CH:24]([C:23](=[O:30])[O:31][CH2:32][CH3:33])[C:25](=[O:26])[O:27][CH2:28][CH3:29])[CH2:9][CH2:10][O:11][CH2:12][CH2:13]2)[cH:6][cH:7]1