4-Chlorophenol → N-(3-{1-[6-(4-Chlorophenoxy)-6-(4-chlorophenyl)hexyl]-4-piperidinyl}phenyl)-2-methylpropanamide
반응식
[Cl:9][c:10]1[cH:11][cH:12][c:13]([CH:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH:25]([c:28]3[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]3)[CH2:26][CH2:27]2)[OH:40])[cH:14][cH:15]1.[OH:1][c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][cH:8]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([Cl:6])[cH:7][cH:8]1)[CH:16]([c:13]1[cH:12][cH:11][c:10]([Cl:9])[cH:15][cH:14]1)[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]1[CH2:23][CH2:24][CH:25]([c:28]2[cH:29][c:30]([NH:34][C:35]([CH:36]([CH3:37])[CH3:38])=[O:39])[cH:31][cH:32][cH:33]2)[CH2:26][CH2:27]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-a6df9d1d93a84613ba6b15ff32c1e4a3
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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