Acetic Acid → tert-butyl 2-(4-amino-3-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetate

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 702Ethanol

HCID 3301Ethylenediamine

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

Product 1

HCID 59242681tert-butyl 2-(4-amino-3-(4,5-dihydro-1H-imidazol-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)acetate

Sources & evidence

ORD record: ord-95875abca3c949998fad4ecbd71ed874
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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