Dichloromethane → 6-Hydroxy-6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-hexanoic acid

반응식

[Cl:24][CH2:25][Cl:26].[F:27][C:28]([F:29])([F:30])[C:31]([OH:32])=[O:33].[OH:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[C:14]1[C:15](=[O:23])[CH2:16][C:17]([CH3:21])([CH3:22])[CH2:18][C:19]1=[O:20]>>[OH:1][C:2]([CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[OH:9])=[C:14]1[C:15](=[O:23])[CH2:16][C:17]([CH3:21])([CH3:22])[CH2:18][C:19]1=[O:20]

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 22728383t-Butyl 6-hydroxy-6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-hexanoate

생성물 1

HCID 227283796-Hydroxy-6-(4,4-dimethyl-2,6-dioxocyclohexylidene)-hexanoic acid

출처 및 근거

ORD 기록: ord-33ccda8ec6764a64ad6ef189115c0185
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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