Acetone → 4{-4-amino-3-[4-(2-pyrimidinyloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-cyclohexanone

HRID 665192Notes

Reaction equation

HRID 665192 reaction equation
[CH3:35][C:36](=[O:37])[CH3:38].[ClH:34].[O:1]1[CH2:3][CH2:2][O:4][C:5]12[CH2:6][CH2:7][CH:8]([n:11]1[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([O:27][c:28]4[n:29][cH:30][cH:31][cH:32][n:33]4)[cH:25][cH:26]3)[c:14]3[c:15]1[n:16][cH:17][n:18][c:19]3[NH2:20])[CH2:9][CH2:10]2>>[O:4]=[C:5]1[CH2:6][CH2:7][CH:8]([n:11]2[n:12][c:13](-[c:21]3[cH:22][cH:23][c:24]([O:27][c:28]4[n:29][cH:30][cH:31][cH:32][n:33]4)[cH:25][cH:26]3)[c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3[NH2:20])[CH2:9][CH2:10]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 223470101-(1,4-dioxaspiro[4.5]dec-8-yl)-3-[4-(2-pyrimidinyloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 223467624{-4-amino-3-[4-(2-pyrimidinyloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}-cyclohexanone

Sources & evidence

ORD record
ord-be94c1012cc144bb9a5c849e63f47c00
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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