HRID105821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID996

Phenol

C6H6O

HCID6643

4-(2-Methylbutan-2-yl)phenol

C11H16O

HCID8455

2,4-Di-tert-pentylphenol

C16H26O

HCID76769

Phenol, 2-(1,1-dimethylpropyl)-

C11H16O

PRODUCTS

生成物

结构：CCC(C)(C)c1cc(C(C)(C)CC)c(O)c(C(C)(C)CC)c1

HCID15173855

2,4,6-Tris(2-methylbutan-2-yl)phenol

C21H36O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-956273cde21c4b2e93a15dd63d0c6035
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:20]([c:21]1[cH:22][cH:23][c:24]([OH:25])[cH:26][cH:27]1)([CH2:28][CH3:29])([CH3:30])[CH3:31].[C:32]([CH3:33])([CH3:34])([CH2:35][CH3:36])[c:37]1[c:38]([OH:48])[cH:39][cH:40][c:41]([C:43]([CH3:44])([CH3:45])[CH2:46][CH3:47])[cH:42]1.[C:8]([CH3:9])([CH3:10])([CH2:11][CH3:12])[c:13]1[cH:14][cH:15][cH:16][cH:17][c:18]1[OH:19].[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1>>[C:8]([CH3:9])([CH3:10])([CH2:11][CH3:12])[c:39]1[c:38]([OH:48])[c:37]([C:32]([CH3:33])([CH3:34])[CH2:35][CH3:36])[cH:42][c:41]([C:43]([CH3:44])([CH3:45])[CH2:46][CH3:47])[cH:40]1