HRID955966

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID7268

Diethyl oxalate

C6H10O4

HCID5360545

Sodium

结构：CC(=O)c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1

HCID17963691

1-[2,4-Bis(benzyloxy)-5-chlorophenyl]ethan-1-one

C22H19ClO3

PRODUCTS

生成物

结构：CCOC(=O)C(O)=CC(=O)c1cc(Cl)c(OCc2ccccc2)cc1OCc1ccccc1

HCID178473089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef78986a13c847a8991864fac4dc310d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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