Acetic Acid → 5-[(1,5-Dimethylhexyl)oxy]pentanal
반응식
[CH3:19][C:20](=[O:21])[OH:22].[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH:6]([CH3:7])[CH3:8])[O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]1[O:15][CH2:18][CH2:17][O:16]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[O:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1.[OH2:34]>>[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH:6]([CH3:7])[CH3:8])[O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[O:15]참가 물질
7
출처 및 근거
- ORD 기록
- ord-7a7a9426cd084bbdb5b1da771b23fff4
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
반응 노트
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