Acetic Acid → [4-(3-Oxooct-1-enyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl] acetate

HRID 2141661노트

반응식

HRID 2141661 반응식
[C:16]([CH3:17])(=[O:18])[O:19][CH:20]1[CH:21]2[CH2:22][CH2:23][CH:24]([CH:28]=[O:29])[CH:25]2[CH2:26][CH2:27]1.[CH3:30][C:31](=[O:32])[OH:33].[CH3:39][CH2:40][O:41][CH2:42][CH3:43].[Na:1].[O:2]=[C:3]([CH2:4][P:5](=[O:6])([O:7][CH3:8])[O:9][CH3:10])[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1>>[O:2]=[C:3]([CH:4]=[CH:28][CH:24]1[CH2:23][CH2:22][CH:21]2[CH:20]([O:19][C:16]([CH3:17])=[O:18])[CH2:27][CH2:26][CH:25]21)[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15]

참가 물질

7

출처 및 근거

ORD 기록
ord-d9ee7cf8b9804850920131ebe21471e6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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