Acetic Acid → 4,8-Dimethylnona-3,7-dien-2-one

HRID 671640

반응식

HRID 671640 반응식
[C:1](=[O:2])([CH3:3])[O:4][C:5]([CH3:6])=[CH:7][C:8](=[CH2:9])[CH3:10].[CH3:11][C:12]([CH3:13])=[CH:14][CH2:15][OH:16].[CH3:17][C:18]([CH3:19])=[CH:20][C:21]([OH:22])=[O:23].[CH3:24][C:25](=[O:26])[OH:27]>>[CH2:4]([C:5]([CH3:6])=[CH:7][C:8](=[O:9])[CH3:10])[CH2:15][CH:14]=[C:12]([CH3:11])[CH3:13]

참가 물질

5

반응물 4

HCID 176Acetic AcidHCID 109313-Methyl-2-butenoic acidHCID 111733-Methyl-2-buten-1-OLHCID 545555184-Methyl-2,4-pentadien-2-yl acetate

생성물 1

HCID 5496634,8-Dimethylnona-3,7-dien-2-one

출처 및 근거

ORD 기록
ord-d5ea4dcd9b6044a988d404077100cdb3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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