HRID1147895

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID7268

Diethyl oxalate

C6H10O4

HCID119440

1-Hydroxyethyl radical

C2H5O-

HCID5360545

Sodium

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

HCID24773361

1-(2,4-Bis(benzyloxy)-5-isopropylphenyl)ethanone

C25H26O3

PRODUCTS

生成物

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

HCID178473081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-306f15bcf3d448d2af4fe5759c170716
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:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])(=[O:40])[O:41][CH2:42][CH3:43].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([C:31]([CH3:32])=[O:33])[cH:16][c:17]([CH:28]([CH3:29])[CH3:30])[c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:19]1.[CH3:3][CH2:4][O-:5].[CH3:44][CH2:45][OH:46].[Na+:2].[Na:1]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][c:14]1[c:15]([C:31]([CH:32]=[C:34]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[OH:40])=[O:33])[cH:16][c:17]([CH:28]([CH3:29])[CH3:30])[c:18]([O:20][CH2:21][c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:19]1