Propanal → 4-{2-[4-(3-{[Ethyl-(1-propyl-piperidin-4-yl)-amino]-methyl}-phenyl)-pyrimidin-2-ylamino]-ethyl}-2-fluoro-phenol
반응식
[CH2:1]([CH3:2])[N:3]([CH:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9]1)[CH2:10][c:11]1[cH:12][c:13](-[c:17]2[n:18][c:19]([NH:23][CH2:24][CH2:25][c:26]3[cH:27][c:28]([F:33])[c:29]([OH:32])[cH:30][cH:31]3)[n:20][cH:21][cH:22]2)[cH:14][cH:15][cH:16]1.[CH:34]([CH2:35][CH3:36])=[O:37]>>[CH2:1]([CH3:2])[N:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:34][CH2:35][CH3:36])[CH2:8][CH2:9]1)[CH2:10][c:11]1[cH:12][c:13](-[c:17]2[n:18][c:19]([NH:23][CH2:24][CH2:25][c:26]3[cH:27][c:28]([F:33])[c:29]([OH:32])[cH:30][cH:31]3)[n:20][cH:21][cH:22]2)[cH:14][cH:15][cH:16]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-b2a43386a426410c91fe166ebe999423
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
반응 노트
불러오는 중…