HRID314532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7761

Diethyl propanedioate

C7H12O4

HCID7918

Acetic anhydride

C4H6O3

HCID2773538

3-Chloro-2,4-difluorobenzoyl chloride

C7H2Cl2F2O

HCID5231668

未命名化合物

HCID5352425

Lead

结构：CCOC(=O)C(C(=O)OCC)C(=O)c1ccc(F)c(Cl)c1F

HCID22077280

1,3-Diethyl 2-(3-chloro-2,4-difluorobenzoyl)propanedioate

C14H13ClF2O5

HCID54232984

Ethyl 3-chloro-2,4-difluoro-β-oxobenzenepropanoate

C11H9ClF2O3

PRODUCTS

生成物

结构：CCOC=C(C(=O)OCC)C(=O)c1ccc(F)c(Cl)c1F

HCID54286793

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9ba978bd3c649839bfc26edf7a8197d
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]([O:14][CH2:15][CH3:16])(=[O:17])[CH2:18][C:19]([O:20][CH2:21][CH3:22])=[O:23].[C:64]([O:65][C:66](=[O:67])[CH3:68])(=[O:69])[CH3:70].[CH:71]([OH:72])([OH:73])[O:74][CH2:75][CH3:76].[Cl:1][c:2]1[c:3]([F:4])[c:5]([C:10]([Cl:11])=[O:12])[cH:6][cH:7][c:8]1[F:9].[Cl:24][c:25]1[c:26]([F:45])[c:27]([C:28](=[O:29])[CH:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])[C:36](=[O:37])[O:38][CH2:39][CH3:40])[cH:41][cH:42][c:43]1[F:44].[Cl:47][c:48]1[c:49]([F:50])[c:51]([C:56]([CH2:57][C:58]([O:59][CH2:60][CH3:61])=[O:62])=[O:63])[cH:52][cH:53][c:54]1[F:55].[Pb:46]>>[Cl:24][c:25]1[c:26]([F:45])[c:27]([C:28](=[O:29])[C:30]([C:31](=[O:32])[O:33][CH2:34][CH3:35])=[CH:36][O:38][CH2:39][CH3:40])[cH:41][cH:42][c:43]1[F:44]