Hydrochloric Acid → (5-Butyl-pyridin-2-yl)-{4-[1-(4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-methanone

HRID 696271

Reaction equation

HRID 696271 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11](=[O:12])[OH:13])[n:9][cH:10]1.[CH3:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29](-[n:32]2[n:33][cH:34][c:35]3[c:36]2[n:37][cH:38][n:39][c:40]3[O:41][CH:42]2[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]2)[cH:30][cH:31]1.[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[Cl:14][C:15]([O:16][CH:17]([CH3:18])[CH3:19])=[O:20].[ClH:21].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11](=[O:13])[N:45]2[CH2:44][CH2:43][CH:42]([O:41][c:40]3[c:35]4[cH:34][n:33][n:32](-[c:29]5[cH:28][cH:27][c:26]([S:23]([CH3:22])(=[O:24])=[O:25])[cH:31][cH:30]5)[c:36]4[n:37][cH:38][n:39]3)[CH2:47][CH2:46]2)[n:9][cH:10]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 3442Fusaric AcidHCID 6228DimethylformamideHCID 7917Isopropyl chloroformateHCID 8471TriethylamineHCID 113608021-(4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

Product 1

HCID 21897785(5-Butyl-pyridin-2-yl)-{4-[1-(4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-dfcc9986d91e40dba0a1e047d2252932
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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