Tyramine → 4-(2-{4-[3-(Isopropylamino-methyl)-phenyl]-pyrimidin-2-ylamino}-ethyl)-phenol
반응식
[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([CH2:11][NH:12][CH:13]([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]2)[n:7]1.[NH2:19][CH2:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]1>>[c:2]1([NH:19][CH2:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([OH:26])[cH:27][cH:28]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[cH:9][c:10]([CH2:11][NH:12][CH:13]([CH3:14])[CH3:15])[cH:16][cH:17][cH:18]2)[n:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-e1fc31afd33e482f87048313bd0aeae1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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