Hydrochloric Acid → Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-3-hydroxy-3-methyl-butyramide
반응식
[CH3:26][C:27]([CH3:28])([OH:29])[CH2:30][C:31]([OH:32])=[O:33].[ClH:1].[O:2]1[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][c:10]2[CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH:19]2[CH2:20][CH2:21][CH:22]([NH2:25])[CH2:23][CH2:24]2)[CH2:15][CH2:16]1>>[O:2]1[CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][cH:9][c:10]2[CH:11]1[CH2:12][CH2:13][N:14]([CH2:17][CH2:18][CH:19]2[CH2:20][CH2:21][CH:22]([NH:25][C:31]([CH2:30][C:27]([CH3:26])([CH3:28])[OH:29])=[O:32])[CH2:23][CH2:24]2)[CH2:15][CH2:16]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-dff1a17db65e493da438617b5888ddc1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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