Ammonium → 4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

HRID 200865Notes

Reaction equation

HRID 200865 reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[O:18][C:19](=[O:20])[N:21]1[CH2:22][CH2:23][CH:24]([n:27]2[n:28][cH:29][c:30]3[c:31]2[n:32][cH:33][n:34][c:35]3[Cl:36])[CH2:25][CH2:26]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1.[Cl-:37].[H-:1].[NH4+:38].[Na+:2]>>[CH3:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][cH:9][c:10]([O:13][c:35]2[c:30]3[cH:29][n:28][n:27]([CH:24]4[CH2:23][CH2:22][N:21]([C:19]([O:18][C:14]([CH3:15])([CH3:16])[CH3:17])=[O:20])[CH2:26][CH2:25]4)[c:31]3[n:32][cH:33][n:34]2)[cH:11][cH:12]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 6228DimethylformamideHCID 1233504-(Methylsulfonyl)phenolHCID 166653HydrideHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylate

Product 1

HCID 532576834-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-d016fbc395ca4818a466fbbfa738491e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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