HCID 66989736, 화합물 → N-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-3-[2-[[2-hydroxy-2-(2-oxo-8-phenylmethoxy-1H-quinolin-5-yl)ethyl]amino]-2-methylpropyl]benzamide
반응식
[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][c:34]1[cH:35][cH:36][c:37]([CH:45]([CH2:46][NH:47][C:48]([CH2:49][c:50]2[cH:51][c:52]([C:53](=[O:54])[NH:55][CH2:56][c:57]3[c:58]([NH:70][CH:71]4[CH2:72][CH2:73][O:74][CH2:75][CH2:76]4)[c:59]4[c:60]([n:61][c:62]3[CH2:63][CH3:64])[n:65]([CH2:68][CH3:69])[n:66][cH:67]4)[cH:77][cH:78][cH:79]2)([CH3:80])[CH3:81])[O:82][Si:83]([C:84]([CH3:85])([CH3:86])[CH3:87])([CH3:88])[CH3:89])[c:38]2[cH:39][cH:40][c:41](=[O:44])[nH:42][c:43]12.[N:1]([CH2:2][CH:3]([c:4]1[cH:5][cH:6][c:7]([O:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[c:16]2[c:17]1[cH:18][cH:19][c:20](=[O:21])[nH:22]2)[OH:23])=[N+:24]=[N-:25]>>[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[O:33][c:34]1[cH:35][cH:36][c:37]([CH:45]([CH2:46][NH:47][C:48]([CH2:49][c:50]2[cH:51][c:52]([C:53](=[O:54])[NH:55][CH2:56][c:57]3[c:58]([NH:70][CH:71]4[CH2:72][CH2:73][O:74][CH2:75][CH2:76]4)[c:59]4[c:60]([n:61][c:62]3[CH2:63][CH3:64])[n:65]([CH2:68][CH3:69])[n:66][cH:67]4)[cH:77][cH:78][cH:79]2)([CH3:80])[CH3:81])[OH:82])[c:38]2[cH:39][cH:40][c:41](=[O:44])[nH:42][c:43]12참가 물질
3
출처 및 근거
- ORD 기록
- ord-45dc530ab0a44d1b901c6b11821fabbd
- 출처 데이터셋
- Validation data from https://doi.org/10.1039/C8SC04228D
반응 노트
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