Hydrochloric Acid → Hydrochloric Acid

HRID 90970Notes

Reaction equation

HRID 90970 reaction equation
[CH2:2]([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][cH:10][c:11](-[c:20]1[n:21][c:22]([CH2:25][CH:26]3[CH2:27][CH2:28][N:29]([C:32]([O:33][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH2:30][CH2:31]3)[n:23][o:24]1)[c:12]2[NH:13][CH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1.[ClH:1].[O:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1>>[CH2:2]([CH3:3])[n:4]1[n:5][cH:6][c:7]2[c:8]1[n:9][cH:10][c:11](-[c:20]1[n:21][c:22]([CH2:25][CH:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[n:23][o:24]1)[c:12]2[NH:13][CH:14]1[CH2:15][CH2:16][O:17][CH2:18][CH2:19]1.[ClH:1]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 57675199HCID 57675199, compound

Product 2

HCID 313Hydrochloric AcidHCID 576752041-ethyl-N-(oxan-4-yl)-5-[3-(piperidin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]pyrazolo[3,4-b]pyridin-4-amine

Sources & evidence

ORD record
ord-674ddee76d9c48198970deb6aa905d27
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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