Isophorone → 3,3,4-Trimethyloxepan-2-one

HRID 1126686

반응식

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

참가 물질

반응물 2

HCID 6544Isophorone

HCID 3016570Cyclohexanone, trimethyl-

생성물 1

HCID 215848063,3,4-Trimethyloxepan-2-one

출처 및 근거

ORD 기록: ord-653e5bfc98b9435f9cf5a958ec6c729e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

연결된 노트

불러오는 중…