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

HRID 1219219Notes

Reaction equation

HRID 1219219 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.[C:36](=[O:37])([O-:38])[O-:39].[K+:40].[K+:41].[n:24]1[n:25](-[c:29]2[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]2)[n:26][n:27][cH:28]1>>[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[O:35][c:32]2[cH:31][cH:30][c:29](-[n:25]3[n:24][cH:28][n:27][n:26]3)[cH:34][cH:33]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 157603994-(2H-Tetrazol-2-yl)phenolHCID 57964905Tert-butyl 4-(4-chloro-1H-pyrazolo[3,4-D]pyrimidin-1-YL)piperidine-1-carboxylate

Product 1

HCID 579648824-[4-(4-Tetrazol-2-yl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-bf8f23bb3fb54d5cbbf1bc9b7972b072
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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