HRID282230

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID996

Phenol

C6H6O

HCID8814

4-(1,1,3,3-Tetramethylbutyl)phenol

C14H22O

结构：Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1

HCID20345941

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(C)(C)C)c(O)c(C)c1CC(=O)Oc1ccccc1

HCID20345912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-224bb985676043fcb55ff027b8cf1d8a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:31])[c:7]([CH3:30])[c:8]([CH2:12][C:13](=[O:14])[O:15][c:16]2[cH:17][cH:18][c:19]([C:22]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])([CH3:28])[CH3:29])[cH:20][cH:21]2)[c:9]([CH3:11])[cH:10]1.[C:32]([c:33]1[cH:34][cH:35][c:36]([OH:37])[cH:38][cH:39]1)([CH2:40][C:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[OH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:31])[c:7]([CH3:30])[c:8]([CH2:12][C:13](=[O:14])[O:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:9]([CH3:11])[cH:10]1