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Sodium Ion → 1-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenylamino)-7-methyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one

HRID 113233
Notes
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Reaction equation

HRID 113233 reaction equation
[CH3:30][C:31]([CH3:32])([O-:33])[CH3:34].[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5]([CH3:9])[c:6](=[O:8])[cH:7]1)[n:10](-[c:13]1[c:14]([F:20])[cH:15][cH:16][cH:17][c:18]1[F:19])[n:11][cH:12]2.[F:21][c:22]1[cH:23][c:24]([CH3:29])[c:25]([NH2:26])[cH:27][cH:28]1.[Na+:35].[O:45]=[C:46]([CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)[CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[O:63]=[C:64]([CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1)[CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[Pd:43].[Pd:44]>>[c:2]1([NH:26][c:25]2[c:24]([CH3:29])[cH:23][c:22]([F:21])[cH:28][cH:27]2)[c:3]2[c:4]([n:5]([CH3:9])[c:6](=[O:8])[cH:7]1)[n:10](-[c:13]1[c:14]([F:20])[cH:15][cH:16][cH:17][c:18]1[F:19])[n:11][cH:12]2
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 1140TolueneHCID 23938Palladium2×HCID 679824-Fluoro-2-methylanilineHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olate
HCID 68908852
4-chloro-1-(2,6-difluorophenyl)-7-methyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one

Product 1

HCID 577080761-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenylamino)-7-methyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one

Sources & evidence

ORD record
ord-565b5aecd68d4095b039b142d8963863
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes