Acetic Acid → 4-(2-Chlorophenylmethyl)cyclohexanone

반응식

[CH3:20][C:21](=[O:22])[OH:23].[Cl:1][c:2]1[c:3]([CH2:8][CH:9]2[CH2:10][CH2:11][C:12]3([O:13][CH2:16][CH2:15][O:14]3)[CH2:17][CH2:18]2)[cH:4][cH:5][cH:6][cH:7]1.[OH2:19]>>[Cl:1][c:2]1[c:3]([CH2:8][CH:9]2[CH2:10][CH2:11][C:12](=[O:13])[CH2:17][CH2:18]2)[cH:4][cH:5][cH:6][cH:7]1

참가 물질

반응물 3

HCID 176Acetic Acid

HCID 962Water

HCID 197052768-(2-Chlorophenylmethyl)-1,4-dioxaspiro[4.5]decane

생성물 1

HCID 197052324-(2-Chlorophenylmethyl)cyclohexanone

출처 및 근거

ORD 기록: ord-758270df35ab42a3b4450c8db03e8e9e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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