HRID2131873

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID338

Salicylic acid

C7H6O3

HCID23994

Zinc

HCID32051

Zinc (II) cation

Zn+2

HCID88208

3,5-Di-tert-butylsalicylic acid

C15H22O3

HCID178441094

3,5-ditert-butyl-2-hydroxybenzoate

C15H21O3-

2 次

PRODUCTS

产物

HCID7311

2,4-Di-tert-butylphenol

C14H22O

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6786da1bd3224dc69a523b9b849a5913
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:18])[c:7]([C:8]([OH:9])=[O:10])[cH:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]1.[C:29]([c:30]1[cH:31][c:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][c:38]([C:39]([O-:40])=[O:41])[c:42]1[OH:43])([CH3:44])([CH3:45])[CH3:46].[C:48]([c:49]1[cH:50][c:51]([C:52]([CH3:53])([CH3:54])[CH3:55])[cH:56][c:57]([C:58]([O-:59])=[O:60])[c:61]1[OH:62])([CH3:63])([CH3:64])[CH3:65].[OH:19][C:20]([c:21]1[c:22]([OH:23])[cH:24][cH:25][cH:26][cH:27]1)=[O:28].[Zn+2:47].[Zn:66]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:18])[cH:7][cH:11][c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]1