4-(3,4-Difluorophenoxy)benzaldehyde → N-(5-{1-[4-(3,4-Difluorophenoxy)benzyl]-4-piperidinyl}-2-methylphenyl)-2-methylpropanamide
반응식
[CH3:18][CH:19]([C:20](=[O:21])[NH:22][c:23]1[c:24]([CH3:35])[cH:25][cH:26][c:27]([CH:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:28]1)[CH3:36].[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH:10]=[O:11])[cH:12][cH:13]2)[cH:14][cH:15][c:16]1[F:17]>>[F:1][c:2]1[cH:3][c:4]([O:5][c:6]2[cH:7][cH:8][c:9]([CH2:10][N:32]3[CH2:31][CH2:30][CH:29]([c:27]4[cH:26][cH:25][c:24]([CH3:35])[c:23]([NH:22][C:20]([CH:19]([CH3:18])[CH3:36])=[O:21])[cH:28]4)[CH2:34][CH2:33]3)[cH:12][cH:13]2)[cH:14][cH:15][c:16]1[F:17]참가 물질
3
출처 및 근거
- ORD 기록
- ord-4a31e58cbaa143b98ece40263dd842cb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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