Potassium Cation → 4-[4-(2-Methyl-pyridin-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 297395Notes

Reaction equation

HRID 297395 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[Cl:23])[CH2:12][CH2:13]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:37].[NH2:24][c:25]1[c:26]([CH3:31])[n:27][cH:28][cH:29][cH:30]1.[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([n:14]2[n:15][cH:16][c:17]3[c:18]2[n:19][cH:20][n:21][c:22]3[NH:24][c:25]2[c:26]([CH3:31])[n:27][cH:28][cH:29][cH:30]2)[CH2:12][CH2:13]1

Participants

8

Reactant 7

HCID 813Potassium CationHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 5726163-Amino-2-methylpyridineHCID 45749132-Methylpropan-2-olateHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylate

Product 1

HCID 579650374-[4-(2-Methyl-pyridin-3-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-c7d6ab4d45d14d99aaea86472d9ee762
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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