HRID202772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID867

Propanedioic acid

C3H4O4

HCID7761

Diethyl propanedioate

C7H12O4

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：CC(C=CC(=O)O)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID157794

未命名化合物

HCID178461635

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)C=CC(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)OCC

HCID57188560

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4649487905fa4329aaf932f0cd20f450
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]([CH3:30])([CH3:31])[CH3:32].[C:33]([OH:34])(=[O:35])[CH2:36][C:37]([OH:38])=[O:39].[C:48]([CH2:49][C:50](=[O:51])[O:52][CH2:53][CH3:54])(=[O:55])[O:56][CH2:57][CH3:58].[CH2:40]([CH:41]([O:42][Mg:43][CH2:44][CH3:45])[CH3:46])[CH3:47].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([O:12][CH:13]([CH:14]=[CH:15][C:16](=[O:17])[OH:18])[CH3:19])[cH:20][cH:21]2)[cH:22][cH:23]1)([F:24])[F:25]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([O:12][CH:13]([CH:14]=[CH:15][C:16](=[O:17])[CH:49]([C:48](=[O:55])[O:56][CH2:57][CH3:58])[C:50](=[O:51])[O:52][CH2:53][CH3:54])[CH3:19])[cH:20][cH:21]2)[cH:22][cH:23]1)([F:24])[F:25]