Methanol → 1-(4-(4-(4-(4-Aminopiperidin-1-yl)-5-fluoropyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][cH:19][c:20]([F:40])[c:21]([N:23]4[CH2:24][CH2:25][CH:26]([NH:29][C:30](=[O:31])[O:32][CH2:33][c:34]5[cH:35][cH:36][cH:37][cH:38][cH:39]5)[CH2:27][CH2:28]4)[n:22]3)[cH:14][cH:15]2)[CH2:8][CH2:9]1.[CH3:43][OH:44].[H:41][H:42]>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:10]2[cH:11][cH:12][c:13]([NH:16][c:17]3[n:18][cH:19][c:20]([F:40])[c:21]([N:23]4[CH2:24][CH2:25][CH:26]([NH2:29])[CH2:27][CH2:28]4)[n:22]3)[cH:14][cH:15]2)[CH2:8][CH2:9]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-c2419441cc864014b6b346a4d743ed0b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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