1-(4-(5-bromopent-1-yn-1-yl)phenyl)-3-((1,6-diethyl-4-((tetrahydro-2H-pyran-4-yl)amino)-1H-pyrazolo[3,4-b]pyridin-5-yl)methyl)urea → 1-[4-[5-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]pent-1-ynyl]phenyl]-3-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]urea
Reaktionsgleichung
[Br:42][CH2:43][CH2:44][CH2:45][C:46]#[C:47][c:48]1[cH:49][cH:50][c:51]([NH:54][C:55](=[O:56])[NH:57][CH2:58][c:59]2[c:60]([NH:72][CH:73]3[CH2:74][CH2:75][O:76][CH2:77][CH2:78]3)[c:61]3[c:62]([n:63][c:64]2[CH2:65][CH3:66])[n:67]([CH2:70][CH3:71])[n:68][cH:69]3)[cH:52][cH:53]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][C:13]#[C:14][c:15]1[cH:16][cH:17][c:18]([NH:19][C:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[cH:26][cH:27]1)[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH:7]([CH2:8][NH:9][CH2:10][CH2:11][CH2:12][C:46]#[C:47][c:48]1[cH:49][cH:50][c:51]([NH:54][C:55](=[O:56])[NH:57][CH2:58][c:59]2[c:60]([NH:72][CH:73]3[CH2:74][CH2:75][O:76][CH2:77][CH2:78]3)[c:61]3[c:62]([n:63][c:64]2[CH2:65][CH3:66])[n:67]([CH2:70][CH3:71])[n:68][cH:69]3)[cH:52][cH:53]1)[c:28]1[c:29]2[cH:30][cH:31][c:32](=[O:39])[nH:33][c:34]2[c:35]([OH:38])[cH:36][cH:37]1)([CH3:40])[CH3:41]Komponenten
3
Edukt 2
Produkt 1
Quellen und Nachweise
- ORD-Eintrag
- ord-045cdec430994a7aa45d0ad554e3ecd4
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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