Acetic Acid → 8-Bromo-8-(2-chlorophenyl)-2,2-dimethyloctanoic acid ethyl ester

반응식

[BrH:22].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH:10]=[CH:11][c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)([CH3:19])[CH3:20])=[O:21].[CH3:23][C:24](=[O:25])[OH:26]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH:11]([c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)[Br:22])([CH3:19])[CH3:20])=[O:21]

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 675131248-(2-Chlorophenyl)-2,2-dimethyl-oct-7-enoic acid ethyl ester

생성물 1

HCID 675129798-Bromo-8-(2-chlorophenyl)-2,2-dimethyloctanoic acid ethyl ester

출처 및 근거

ORD 기록: ord-ff210ef277b74ddfb0fc2b21b80092c9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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