HRID672449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID8221

1-Octadecanol

C18H38O

HCID28486

Lithium ion

Li+

结构：COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID62603

Methyl 3,5-bis(tert-butyl)-4-hydroxyhydrocinnamate

C18H28O3

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

HCID16386

Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate

C35H62O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22d7bc12b86f42df9f011ae245370021
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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