Methyl iodide → N-[3-[1-[3-(3-acetylphenoxy)-3-phenylpropyl]piperidin-4-yl]phenyl]-N,2-dimethylpropanamide
반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([O:7][CH:8]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][c:19]([NH:23][C:24]([CH:25]([CH3:26])[CH3:27])=[O:28])[cH:20][cH:21][cH:22]3)[CH2:15][CH2:16]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37]1.[CH3:38][I:39]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([O:7][CH:8]([CH2:9][CH2:10][N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[cH:18][c:19]([N:23]([C:24]([CH:25]([CH3:26])[CH3:27])=[O:28])[CH3:38])[cH:20][cH:21][cH:22]3)[CH2:15][CH2:16]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36][cH:37]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-de08c2da6acf42b9ab4f44d5d91a8796
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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