HRID109189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID263

1-Butanol

C4H10O

HCID8846

Butyl acrylate

C7H12O2

HCID9943927

2,4-di-t-butyl-6-butoxymethyl-1-hydroxybenzene

C19H32O2

PRODUCTS

生成物

结构：CCCCOC(=O)C1CCc2cc(C(C)(C)C)cc(C(C)(C)C)c2O1

HCID11359962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ca967bda2614f0889b4d2fcd203b967
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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