Potassium Cation → 4-[4-(4-Ethoxy-2-fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 112534Notes

Reaction equation

HRID 112534 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]1[CH2:20][CH2:21][CH:22]([n:25]2[n:26][cH:27][c:28]3[c:29]2[n:30][cH:31][n:32][c:33]3[Cl:34])[CH2:23][CH2:24]1.[C:35](=[O:36])([O-:37])[O-:38].[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([F:11])[c:7]([OH:10])[cH:8][cH:9]1.[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[K+:39].[K+:40].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([F:11])[c:7]([O:10][c:33]2[c:28]3[cH:27][n:26][n:25]([CH:22]4[CH2:21][CH2:20][N:19]([C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:18])[CH2:24][CH2:23]4)[c:29]3[n:30][cH:31][n:32]2)[cH:8][cH:9]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate Ion2×HCID 180033714-Ethoxy-2-fluorophenolHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylate

Product 1

HCID 445141064-[4-(4-Ethoxy-2-fluoro-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-18ee51f9275e4d7cb21cb5533ba56ac6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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