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

HRID 1570967Notes

Reaction equation

HRID 1570967 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:43](=[O:44])([O-:45])[O-:46].[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Na+:47].[Na+:48].[O:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][n:35]2[n:36][cH:37][c:38]([B:40]([OH:41])[OH:42])[cH:39]2)[CH2:31][CH2:32]1.[OH2:61].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([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)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([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)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([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)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:2]1(-[c:38]2[cH:37][n:36][n:35]([CH2:34][CH2:33][N:30]3[CH2:29][CH2:28][O:27][CH2:32][CH2:31]3)[cH:39]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 57877042(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)boronic acidHCID 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 68350939N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(1-(2-morpholinoethyl)-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Sources & evidence

ORD record
ord-53424845adfc423fbb41d3ac6012e0ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…