Potassium Cation → 2-(3-Aminopyrazolo[3,4-b]pyridin-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone

HRID 285952Notes

Reaction equation

HRID 285952 reaction equation
[Cl:11][CH2:12][C:13](=[O:14])[N:15]1[CH:16]([CH3:31])[CH2:17][N:18]([c:21]2[c:22]([F:30])[cH:23][c:24]([Cl:29])[c:25]([O:27][CH3:28])[cH:26]2)[CH2:19][CH2:20]1.[K+:32].[K+:33].[O-:34][C:35]([O-:36])=[O:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[nH:1]1[n:2][c:3]([NH2:10])[c:4]2[c:5]1[n:6][cH:7][cH:8][cH:9]2>>[n:1]1([CH2:12][C:13](=[O:14])[N:15]2[CH:16]([CH3:31])[CH2:17][N:18]([c:21]3[c:22]([F:30])[cH:23][c:24]([Cl:29])[c:25]([O:27][CH3:28])[cH:26]3)[CH2:19][CH2:20]2)[n:2][c:3]([NH2:10])[c:4]2[c:5]1[n:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 671040732-Chloro-1-[4-(4-chloro-2-fluoro-5-methoxy-phenyl)-2-methyl-piperazin-1-yl]-ethanoneHCID 178509226HCID 178509226, compound

Product 1

HCID 160061172-(3-Aminopyrazolo[3,4-b]pyridin-1-yl)-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone

Sources & evidence

ORD record
ord-717844ffd91a44379c3a4fb590fdf2c0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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