Hydrochloric Acid → 3-(6-chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

HRID 1542036Notes

Reaction equation

HRID 1542036 reaction equation
[CH3:10][CH2:11][N:12]([CH2:13][CH3:14])[CH2:15][CH3:16].[CH3:38][CH2:39][OH:40].[CH:2]12[CH2:3][NH:4][CH2:5][CH:6]([CH2:7][CH2:8]1)[O:9]2.[Cl:17][c:18]1[c:19]2[c:20]([n:21][c:22]([Cl:24])[n:23]1)[n:25]([CH:28]1[CH2:29][CH2:30][C:31]3([O:32][CH2:33][CH2:34][O:35]3)[CH2:36][CH2:37]1)[n:26][cH:27]2.[ClH:1]>>[CH:2]12[CH2:3][N:4]([c:18]3[c:19]4[c:20]([n:21][c:22]([Cl:24])[n:23]3)[n:25]([CH:28]3[CH2:29][CH2:30][C:31]5([O:32][CH2:33][CH2:34][O:35]5)[CH2:36][CH2:37]3)[n:26][cH:27]4)[CH2:5][CH:6]([CH2:7][CH2:8]1)[O:9]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 8471TriethylamineHCID 120692318-Oxa-3-azabicyclo[3.2.1]octaneHCID 576542784,6-Dichloro-1-(1,4-dioxaspiro(4.5)dec-8-yl)-1H-pyrazolo(3,4-d)pyrimidine

Product 1

HCID 601675223-(6-chloro-1-(1,4-dioxaspiro[4.5]decan-8-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane

Sources & evidence

ORD record
ord-560e3948ad5d42ce8060c23824b53b73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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