Potassium Cation → 5-(3-fluoro-4-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one

HRID 672780Notes

Reaction equation

HRID 672780 reaction equation
[C:51](=[O:52])([O-:53])[O-:54].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([CH2:31][n:32]2[n:33][c:34]([CH3:42])[c:35]3[c:36]2[n:37][cH:38][cH:39][c:40]3[Cl:41])[cH:43][cH:44]1.[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[F:1][c:2]1[cH:3][c:4](-[c:9]2[c:10](=[O:24])[n:11]([CH3:23])[c:12]([NH:15][c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[n:13][cH:14]2)[cH:5][cH:6][c:7]1[OH:8].[K+:50].[K+:55].[K+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[F:1][c:2]1[cH:3][c:4](-[c:9]2[c:10](=[O:24])[n:11]([CH3:23])[c:12]([NH:15][c:16]3[cH:17][cH:18][c:19]([F:22])[cH:20][cH:21]3)[n:13][cH:14]2)[cH:5][cH:6][c:7]1[O:8][c:40]1[c:35]2[c:34]([CH3:42])[n:33][n:32]([CH2:31][c:30]3[cH:29][cH:28][c:27]([O:26][CH3:25])[cH:44][cH:43]3)[c:36]2[n:37][cH:38][cH:39]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 45749132-Methylpropan-2-olateHCID 684185945-(3-fluoro-4-hydroxyphenyl)-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-oneHCID 685123991-(4-methoxybenzyl)-4-chloro-3-methyl-1H-pyrazolo[3,4-b]pyridine

Product 1

HCID 685163095-(3-fluoro-4-(1-(4-methoxybenzyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl)-2-(4-fluorophenylamino)-3-methylpyrimidin-4(3H)-one

Sources & evidence

ORD record
ord-f3d057b918f24f17aa018e19a915eaf0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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