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

HRID 116144Notes

Reaction equation

HRID 116144 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:51](=[O:52])([O-:53])[O-:54].[CH2:63]1[O:64][CH2:65][CH2:66][O:67][CH2:68]1.[CH3:27][N:28]([CH2:29][CH2:30][CH2:31][NH:32][C:33]([c:34]1[cH:35][c:36]([B:40]2[O:41][C:42]([CH3:43])([CH3:44])[C:45]([CH3:46])([CH3:47])[O:48]2)[cH:37][cH:38][cH:39]1)=[O:49])[CH3:50].[CH3:57][CH2:58][O:59][C:60]([CH3:61])=[O:62].[Na+:55].[Na+:56].[OH2:69].[cH:70]1[cH:71][cH:72][c:73]([P:74]([Pd:75]([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[P:114]([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)([c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[c:139]2[cH:140][cH:141][cH:142][cH:143][cH:144]2)[cH:145][cH:146]1>>[c:2]1(-[c:36]2[cH:35][c:34]([C:33]([NH:32][CH2:31][CH2:30][CH2:29][N:28]([CH3:27])[CH3:50])=[O:49])[cH:39][cH:38][cH:37]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 2769538N-(3-(Dimethylamino)propyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 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 66550848N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(3-((3-(dimethylamino)propyl)carbamoyl)phenyl)-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Sources & evidence

ORD record
ord-d4dcf18f076b4b668ea7379046781405
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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