Acetone → 4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-cyclohexanone

HRID 2317675Notes

Reaction equation

HRID 2317675 reaction equation
[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[CH3:41][CH2:42][O:43][CH2:44][CH3:45].[CH3:46][C:47](=[O:48])[CH3:49].[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[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][cH: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 3283Diethyl EtherHCID 8857Ethyl AcetateHCID 223467671-(1,4-dioxaspiro[4.5]dec-8-yl)-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Product 1

HCID 223468934-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)-1-cyclohexanone

Sources & evidence

ORD record
ord-db9e04dce4284a989175b7cd479b4d1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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