Acetone → 1-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-[(2-hydroxyethyl)amino]-1-propanone

HRID 2161048Notes

Reaction equation

HRID 2161048 reaction equation
[CH3:44][C:45](=[O:46])[CH3:47].[ClH:1].[NH2:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[n:9]([CH:25]1[CH2:26][N:27]([C:29]([CH2:30][CH2:31][N:32]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:40][CH2:41][OH:42])=[O:43])[CH2:28]1)[n:10][c:11]2-[c:12]1[cH:13][cH:14][c:15]([O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:16][cH:17]1>>[NH2:2][c:3]1[c:4]2[c:5]([n:6][cH:7][n:8]1)[n:9]([CH:25]1[CH2:26][N:27]([C:29]([CH2:30][CH2:31][NH:32][CH2:40][CH2:41][OH:42])=[O:43])[CH2:28]1)[n:10][c:11]2-[c:12]1[cH:13][cH:14][c:15]([O:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[cH:16][cH:17]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 22346914tert-butyl N-(3-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-oxopropyl)-N-(2-hydroxyethyl)carbamate

Product 1

HCID 223470231-{3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-azetanyl}-3-[(2-hydroxyethyl)amino]-1-propanone

Sources & evidence

ORD record
ord-05ac003370bb42ea9e83cf432f34d4e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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