Ammonium → tert-butyl 4-(1-(4-methoxybenzyl)-4-(2-fluoro-4-(3-(4-fluorophenyl)-2-oxo-3-aza-bicyclo[3.1.0]hexane-1-carboxamido)phenoxy)-1H-pyrazolo[3,4-b]pyridin-3-yl)piperazine-1-carboxylate
반응식
[CH3:58][CH2:59][N:60]=[C:61]=[N:62][CH2:63][CH2:64][CH2:65][N:66]([CH3:67])[CH3:68].[Cl-:79].[F:41][c:42]1[cH:43][cH:44][c:45]([N:48]2[C:49](=[O:57])[C:50]3([C:54](=[O:55])[OH:56])[CH2:51][CH:52]3[CH2:53]2)[cH:46][cH:47]1.[NH2:1][c:2]1[cH:3][c:4]([F:40])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[n:14][c:15]3[N:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:38][cH:39]1.[NH4+:80].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:69][n:70]1[c:71]2[c:72]([cH:73][cH:74][cH:75][cH:76]2)[n:77][n:78]1>>[NH:1]([c:2]1[cH:3][c:4]([F:40])[c:5]([O:6][c:7]2[c:8]3[c:9]([n:10][cH:11][cH:12]2)[n:13]([CH2:29][c:30]2[cH:31][cH:32][c:33]([O:36][CH3:37])[cH:34][cH:35]2)[n:14][c:15]3[N:16]2[CH2:17][CH2:18][N:19]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:20][CH2:21]2)[cH:38][cH:39]1)[C:54]([C:50]12[C:49](=[O:57])[N:48]([c:45]3[cH:44][cH:43][c:42]([F:41])[cH:47][cH:46]3)[CH2:53][CH:52]1[CH2:51]2)=[O:55]참가 물질
8
반응물 7
생성물 1
출처 및 근거
- ORD 기록
- ord-96af164cad034343ba5ee47201364617
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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