Acetone → 4-[4-amino-3-(6-phenoxy-3-pyridyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-cyclo-hexanone

HRID 177077Notes

Reaction equation

HRID 177077 reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH3:40][C:41](=[O:42])[CH3:43].[ClH:34].[Na+:39].[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][n:23][c:24]([O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH: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][n:23][c:24]([O:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH: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

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 223471771-(1,4-dioxaspiro[4.5]dec-8-yl)-3-(6-phenoxy-3-pyridyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 223467504-[4-amino-3-(6-phenoxy-3-pyridyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-cyclo-hexanone

Sources & evidence

ORD record
ord-c0a176ac93d448d689bf1555fb4f5454
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…