Phenol → Phenyl 4-tert.-butyl-2,6-dimethyl-3-hydroxyphenylacetate

HRID 282230

반응식

HRID 282230 반응식
[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

참가 물질

4

반응물 3

HCID 996PhenolHCID 88144-Tert-octylphenolHCID 20345941p-tert.-Octylphenyl 4-tert.-butyl-2,6-dimethyl-3-hydroxyphenylacetate

생성물 1

HCID 20345912Phenyl 4-tert.-butyl-2,6-dimethyl-3-hydroxyphenylacetate

출처 및 근거

ORD 기록
ord-224bb985676043fcb55ff027b8cf1d8a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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