4-Iodo-1,2-dimethylbenzene → N-[3-(1-{[1-(3,4-Dimethylphenyl)-1H-indol-4-YL]methyl}-4-piperidinyl)phenyl]-2-methylpropanamide
반응식
[I:29][c:30]1[cH:31][c:32]([CH3:37])[c:33]([CH3:36])[cH:34][cH:35]1.[nH:1]1[cH:2][cH:3][c:4]2[c:5]([CH2:10][N:11]3[CH2:12][CH2:13][CH:14]([c:17]4[cH:18][c:19]([NH:23][C:24]([CH:25]([CH3:26])[CH3:27])=[O:28])[cH:20][cH:21][cH:22]4)[CH2:15][CH2:16]3)[cH:6][cH:7][cH:8][c:9]12>>[n:1]1(-[c:30]2[cH:31][c:32]([CH3:37])[c:33]([CH3:36])[cH:34][cH:35]2)[cH:2][cH:3][c:4]2[c:5]([CH2:10][N:11]3[CH2:12][CH2:13][CH:14]([c:17]4[cH:18][c:19]([NH:23][C:24]([CH:25]([CH3:26])[CH3:27])=[O:28])[cH:20][cH:21][cH:22]4)[CH2:15][CH2:16]3)[cH:6][cH:7][cH:8][c:9]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-a08f6644545c4e3a928604b46325bbff
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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