[1-(4-Amino-3-methoxyphenyl)piperidin-3-yl]-(4-methylpiperazin-1-yl)methanone → [4-(4-Amino-phenyl)-piperidin-1-yl]-(1-methyl-piperidin-4-yl)-methanone
반응식
[CH3:25][N:26]1[CH2:27][CH2:28][CH:29]([C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH:37]([c:40]3[cH:41][cH:42][c:43]([N+:46]([O-:47])=[O:48])[cH:44][cH:45]3)[CH2:38][CH2:39]2)[CH2:30][CH2:31]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]([N:6]2[CH2:7][CH2:8][CH2:9][CH:10]([C:11]([N:12]3[CH2:13][CH2:14][N:15]([CH3:16])[CH2:17][CH2:18]3)=[O:19])[CH2:20]2)[cH:21][c:22]1[O:23][CH3:24]>>[CH3:25][N:26]1[CH2:27][CH2:28][CH:29]([C:32](=[O:33])[N:34]2[CH2:35][CH2:36][CH:37]([c:40]3[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]3)[CH2:38][CH2:39]2)[CH2:30][CH2:31]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-f5de4b8bfb624e9d80617e02f22eb390
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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