Salicylic Acid → 2,4-Di-tert-butylphenol

HRID 2131873

반응식

HRID 2131873 반응식
[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

참가 물질

6

반응물 5

HCID 338Salicylic AcidHCID 23994ZincHCID 32051Zinc(2+)HCID 882083,5-Bis(1,1-dimethylethyl)-2-hydroxybenzoic acidHCID 1784410943,5-ditert-butyl-2-hydroxybenzoate2회

생성물 1

HCID 73112,4-Di-tert-butylphenol

출처 및 근거

ORD 기록
ord-6786da1bd3224dc69a523b9b849a5913
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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