Potassium Cation → (4-Amino-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)-acetic acid tert-butyl ester

Reaction equation

[C:13](=[O:14])([O-:15])[O-:16].[Cl:19][CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27].[K+:17].[K+:18].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[nH:8][n:9][c:10]2[C:11]#[N:12].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH2:28]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH2:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[n:9][c:10]2[C:11]#[N:12]

Participants

Reactant 6

HCID 813Potassium Cation2×

HCID 962Water

HCID 6228Dimethylformamide

HCID 19660Carbonate Ion

HCID 66052tert-Butyl chloroacetate

HCID 178510695HCID 178510695, compound

Product 1

HCID 59242680(4-Amino-3-cyano-pyrazolo[3,4-d]pyrimidin-1-yl)-acetic acid tert-butyl ester

Sources & evidence

ORD record: ord-5869f1723dda48fc895fc9554c4806da
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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