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

HRID 282546Notes

Reaction equation

HRID 282546 reaction equation
[CH3:72][S:73]([CH3:74])=[O:75].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][c:10]([N:16]1[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]1)[cH:11][c:12]2[C:13](=[O:14])[OH:15].[Cl:76][CH2:77][Cl:78].[NH2:23][CH2:24][c:25]1[c:26](=[O:33])[nH:27][c:28]([CH3:32])[cH:29][c:30]1[CH3:31].[Na+:71].[O-:67][C:68]([OH:69])=[O:70].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][P+:43]([N:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)([N:49]2[CH2:50][CH2:51][CH2:52][CH2:53]2)[N:54]2[CH2:55][CH2:56][CH2:57][CH2:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][c:64]2[n:65][n:66]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][c:10]([N:16]1[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]1)[cH:11][c:12]2[C:13](=[O:15])[NH:23][CH2:24][c:25]1[c:26](=[O:33])[nH:27][c:28]([CH3:32])[cH:29][c:30]1[CH3:31]

Participants

9

Reactant 8

HCID 679Dimethyl SulfoxideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 70638443-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-oneHCID 682954841-isopropyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Product 1

HCID 68350880N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Sources & evidence

ORD record
ord-66cc0dc2c4464b53bab45b23e0220a9c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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