Trifluoroacetic acid → (5-Isobutyl-isoxazol-3-yl)-{4-[4-(4-methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-methanone

HRID 808331Notes

Reaction equation

HRID 808331 reaction equation
[CH2:34]([CH:35]([CH3:36])[CH3:37])[c:38]1[cH:39][c:40]([C:43](=[O:44])[OH:45])[n:41][o:42]1.[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1.[CH:46]([N:47]([CH:48]([CH3:49])[CH3:50])[CH2:51][CH3:52])([CH3:53])[CH3:54].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7]>>[CH3:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][cH:14][c:15]([O:16][c:17]2[c:18]3[c:19]([n:20][cH:21][n:22]2)[n:23]([CH:26]2[CH2:27][CH2:28][N:29]([C:43]([c:40]4[cH:39][c:38]([CH2:34][CH:35]([CH3:36])[CH3:37])[o:42][n:41]4)=[O:44])[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 81531DiisopropylethylamineHCID 11336425-(2-Methylpropyl)-1,2-oxazole-3-carboxylic acidHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964923(5-Isobutyl-isoxazol-3-yl)-{4-[4-(4-methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-methanone

Sources & evidence

ORD record
ord-2ca373f5453d417596085b56ccc40c54
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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