Sodium ion → 6-(2-aminopyrimidin-5-yl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[c:6]([n:7]1)[n:8]([CH:11]([CH3:12])[CH3:13])[n:9][cH:10]2.[C:37](=[O:38])([O-:39])[O-:40].[CH2:49]1[O:50][CH2:51][CH2:52][O:53][CH2:54]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[NH2:27][c:28]1[n:29][cH:30][c:31]([B:34]([OH:35])[OH:36])[cH:32][n:33]1.[Na+:41].[Na+:42].[OH2:55].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:31]2[cH:30][n:29][c:28]([NH2:27])[n:33][cH:32]2)[cH:3][c:4]([C:14](=[O:15])[NH:16][CH2:17][c:18]2[c:19](=[O:26])[nH:20][c:21]([CH3:25])[cH:22][c:23]2[CH3:24])[c:5]2[c:6]([n:7]1)[n:8]([CH:11]([CH3:12])[CH3:13])[n:9][cH:10]2Participants
9
Reactant 8
HCID 923Sodium ion2×
HCID 962Water
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 17750211(2-Aminopyrimidin-5-yl)boronic acid
HCID 867034096-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-d97d8182195a494687227f441b3f569c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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