Acetic Acid → 4(4-Chloro-3,5-dimethyl-phenoxy)-2,6-dimethyl-phenol

반응식

[BrH:21].[CH3:22][C:23](=[O:24])[OH:25].[Cl:1][c:2]1[c:3]([CH3:20])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH3:16])[c:10]([O:14][CH3:15])[c:11]([CH3:13])[cH:12]2)[cH:17][c:18]1[CH3:19]>>[Cl:1][c:2]1[c:3]([CH3:20])[cH:4][c:5]([O:6][c:7]2[cH:8][c:9]([CH3:16])[c:10]([OH:14])[c:11]([CH3:13])[cH:12]2)[cH:17][c:18]1[CH3:19]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 127678104(4-Chloro-3,5-dimethyl-phenoxy)-2,6-dimethylanisole

생성물 1

HCID 127678094(4-Chloro-3,5-dimethyl-phenoxy)-2,6-dimethyl-phenol

출처 및 근거

ORD 기록: ord-77c800111c3b4d7ba471a6d18b667b16
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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