HRID158376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8221

1-Octadecanol

C18H38O

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-07714027e1c74fb1b890d166c1a7127a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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