Acetic Acid → N-{3-[1-(1H-indol-5-ylmethyl)-4-piperidinyl]phenyl)-2-methylpropanamide
반응식
[C:30]([OH:31])(=[O:32])[CH3:33].[CH3:12][CH:13]([C:14](=[O:15])[NH:16][c:17]1[cH:18][c:19]([CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:20][cH:21][cH:22]1)[CH3:29].[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6]([CH:10]=[O:11])[cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][c:6]([CH2:10][N:26]3[CH2:25][CH2:24][CH:23]([c:19]4[cH:18][c:17]([NH:16][C:14]([CH:13]([CH3:12])[CH3:29])=[O:15])[cH:22][cH:21][cH:20]4)[CH2:28][CH2:27]3)[cH:7][cH:8][c:9]12참가 물질
4
출처 및 근거
- ORD 기록
- ord-09eedb92688d47319392777d89ccdb74
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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