HRID1144102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID7268

Diethyl oxalate

C6H10O4

HCID5360545

Sodium

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

HCID24774607

1-[5-(2-Methylpropyl)-2,4-bis(phenylmethoxy)phenyl]ethanone

C26H28O3

PRODUCTS

生成物

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

HCID59264777

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-82a29d2ad7c84bc8be245c1903bd806e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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