Hydrochloric Acid → N-[1-[2-(3-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(3-methylphenoxy)-1H-indole-2-carboxamide
반응식
[ClH:21].[ClH:22].[ClH:23].[NH2:24][CH:25]1[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][N:33]2[CH2:34][CH:35]([OH:39])[CH2:36][CH2:37][CH2:38]2)[CH2:29][CH2:30]1.[c:1]1([CH3:20])[cH:2][c:3]([O:7][c:8]2[c:9]3[cH:10][c:11]([C:17](=[O:18])[OH:19])[nH:12][c:13]3[cH:14][cH:15][cH:16]2)[cH:4][cH:5][cH:6]1>>[c:1]1([CH3:20])[cH:2][c:3]([O:7][c:8]2[c:9]3[cH:10][c:11]([C:17](=[O:19])[NH:24][CH:25]4[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][N:33]5[CH2:34][CH:35]([OH:39])[CH2:36][CH2:37][CH2:38]5)[CH2:29][CH2:30]4)[nH:12][c:13]3[cH:14][cH:15][cH:16]2)[cH:4][cH:5][cH:6]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-794e3446cd5c427584cee56d33471e3f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)