HRID176307

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID11363

1-Phenyl-1,2-propanedione

C9H8O2

HCID243691

Lauryl isobutyrate

C16H32O2

PRODUCTS

生成物

结构：CCCCCCCCCCCCOC(=O)C(C)(C)C(O)(C(C)=O)c1ccccc1

HCID20164021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1f7699fd10f4512a5eb24afcfa16b6c
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:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[c:19]1([C:25]([C:26]([CH3:27])=[O:28])=[O:29])[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[C:1]([C:2]([CH3:3])([CH3:4])[C:25]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)([C:26]([CH3:27])=[O:28])[OH:29])(=[O:5])[O:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18]