Acetic Acid → 1-[4-(Aminomethyl)piperidin-1-yl]-3,3-dimethylbutan-2-one
반응식
[CH3:1][C:2]([C:3]([CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([CH2:11][NH:12][C:13](=[O:14])[O:15][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:9][CH2:10]1)=[O:23])([CH3:24])[CH3:25].[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][CH2:31][OH:32]>>[CH3:1][C:2]([C:3]([CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([CH2:11][NH2:12])[CH2:9][CH2:10]1)=[O:23])([CH3:24])[CH3:25]참가 물질
4
출처 및 근거
- ORD 기록
- ord-85ffaefcea77479d9d099ab31d3f1be7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
반응 노트
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