Sodium ion → N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

HRID 178922Notes

Reaction equation

HRID 178922 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:49](=[O:50])([O-:51])[O-:52].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]1.[CH3:27][N:28]1[CH2:29][CH2:30][N:31]([c:34]2[n:35][cH:36][c:37]([B:40]3[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]3)[cH:38][cH:39]2)[CH2:32][CH2:33]1.[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[Na+:53].[Na+:54].[OH2:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[P:112]([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)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[c:2]1(-[c:37]2[cH:36][n:35][c:34]([N:31]3[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]3)[cH:39][cH:38]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]2

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27696181-Methyl-4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazineHCID 867034096-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamideHCID 178420554HCID 178420554, compound

Product 1

HCID 56598680N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Sources & evidence

ORD record
ord-5af405e52cad4d7f920bf6da051439ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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