Hydrochloric Acid → 1-{4-[1-(4-Methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-butan-2-one

HRID 830930

Reaction equation

HRID 830930 reaction equation
[CH2:35]([CH3:36])[C:37](=[O:38])[CH2:39][Br:40].[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[n:12]2[n:13][cH:14][c:15]3[c:16]2[n:17][cH:18][n:19][c:20]3[O:21][CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[cH:10][cH:11]1.[CH3:47][C:48]#[N:49].[ClH:1].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:50]>>[CH3:2][S:3](=[O:4])(=[O:5])[c:6]1[cH:7][cH:8][c:9](-[n:12]2[n:13][cH:14][c:15]3[c:16]2[n:17][cH:18][n:19][c:20]3[O:21][CH:22]2[CH2:23][CH2:24][N:25]([CH2:39][C:37]([CH2:35][CH3:36])=[O:38])[CH2:26][CH2:27]2)[cH:10][cH:11]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 131561-Bromo-2-butanoneHCID 312751,4-DioxaneHCID 113608021-(4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

Product 1

HCID 218974891-{4-[1-(4-Methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-butan-2-one

Sources & evidence

ORD record
ord-dfe729302bda4c0c9dd79ea3b8aadc5c
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Linked notes

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