Acetic Acid → 3,5-Dimethylcyclohexanone

HRID 287056

반응식

HRID 287056 반응식
[CH3:1][CH:2]1[CH2:3][CH:4]([OH:9])[CH2:5][CH:6]([CH3:8])[CH2:7]1.[CH3:32][C:33](=[O:34])[OH:35].[Na+:16].[Na+:17].[O-:18][Cr:19]([O:20][Cr:21](=[O:22])(=[O:23])[O-:24])(=[O:25])=[O:26].[OH2:36].[S:27](=[O:28])(=[O:29])([OH:30])[OH:31].[cH:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[CH3:1][CH:2]1[CH2:3][C:4](=[O:9])[CH2:5][CH:6]([CH3:8])[CH2:7]1

참가 물질

8

출처 및 근거

ORD 기록
ord-b7206638602a4e31b96ebf1ade7efe3e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

불러오는 중…