Hydrochloric Acid → N-{trans-4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl}-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

HRID 317301

Reaction equation

HRID 317301 reaction equation
[CH3:42][CH:43]([OH:44])[CH3:45].[Cl:20][c:21]1[c:22]2[c:23]([n:24][cH:25][n:26]1)[n:27]([CH:30]1[O:31][CH2:32][CH2:33][CH2:34][CH2:35]1)[n:28][cH:29]2.[ClH:1].[F:2][CH:3]([CH2:4][O:5][CH:6]1[CH2:7][CH2:8][CH:9]([NH2:12])[CH2:10][CH2:11]1)[c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41]>>[F:2][CH:3]([CH2:4][O:5][CH:6]1[CH2:7][CH2:8][CH:9]([NH:12][c:21]2[c:22]3[c:23]([n:24][cH:25][n:26]2)[n:27]([CH:30]2[O:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[n:28][cH:29]3)[CH2:10][CH2:11]1)[c:13]1[c:14]([F:19])[cH:15][cH:16][cH:17][cH:18]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 3776IsopropanolHCID 19660Carbonate IonHCID 2394984-chloro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidineHCID 58812731trans-4-[2-Fluoro-2-(2-fluorophenyl)ethoxy]cyclohexanamine

Product 1

HCID 58812761N-{trans-4-[2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl}-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Sources & evidence

ORD record
ord-fd6ca464421545a487fd06ec2406386d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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