HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

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

HRID 296336
Notes
Print preview

Reaction equation

HRID 296336 reaction equation
[CH3:34][c:35]1[cH:36][c:37]([C:40](=[O:41])[OH:42])[n:38][o:39]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:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[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:40]([c:37]4[cH:36][c:35]([CH3:34])[o:39][n:38]4)=[O:41])[CH2:30][CH2:31]2)[n:24][cH:25]3)[cH:32][cH:33]1
ParticipantsSources & evidenceReaction notes

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 769473-Methyl-5-isoxazolecarboxylic acidHCID 81531DiisopropylethylamineHCID 579649614-(4-Methylsulfonylphenoxy)-1-piperidin-4-ylpyrazolo[5,4-d]pyrimidine

Product 1

HCID 57964901{4-[4-(4-Methanesulfonyl-phenoxy)-pyrazolo[3,4-d]pyrimidin-1-yl]-piperidin-1-yl}-(5-methyl-isoxazol-3-yl)-methanone

Sources & evidence

ORD record
ord-4820781eba1a4595a23d4faef61166c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes