Acetate → 3-(4-Isopropyl-phenoxy)-pentane-2,4-dione

HRID 137060

반응식

HRID 137060 반응식
[C:26]([O-:27])(=[O:28])[CH3:29].[C:31]([O-:32])(=[O:33])[CH3:34].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([OH:10])[cH:8][cH:9]1.[N+:11](=[N-:12])=[C:13]([C:14]([CH3:15])=[O:16])[C:17]([CH3:18])=[O:19].[Rh+2:30].[cH:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:10][CH:13]([C:14]([CH3:15])=[O:16])[C:17]([CH3:18])=[O:19])[cH:8][cH:9]1

참가 물질

6

반응물 5

HCID 175Acetate2회HCID 241BenzeneHCID 74654-IsopropylphenolHCID 185497Rhodium, ion(Rh2)HCID 5369133-diazo-pentane-2,4-dione

생성물 1

HCID 221748743-(4-Isopropyl-phenoxy)-pentane-2,4-dione

출처 및 근거

ORD 기록
ord-310601ab7c714816a10b594918351bd7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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