Water → N-{3-[1-(6-Aminohexyl)4-piperidinyl]phenyl}-2-methylpropanamide
반응식
[NH2:37][NH2:38].[O:1]=[C:2]1[N:3]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][N:18]2[CH2:19][CH2:20][CH:21]([c:24]3[cH:25][c:26]([NH:30][C:31]([CH:32]([CH3:33])[CH3:34])=[O:35])[cH:27][cH:28][cH:29]3)[CH2:22][CH2:23]2)[C:10](=[O:11])[c:5]2[c:4]1[cH:9][cH:8][cH:7][cH:6]2.[OH2:36]>>[NH2:3][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][N:18]1[CH2:19][CH2:20][CH:21]([c:24]2[cH:25][c:26]([NH:30][C:31]([CH:32]([CH3:33])[CH3:34])=[O:35])[cH:27][cH:28][cH:29]2)[CH2:22][CH2:23]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-44d19339c204496bbdcbcb027f443832
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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