Hydrochloric Acid → [3-Methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
Reaction equation
[CH3:47][CH:48]1[N:49]([S:54](=[O:55])(=[O:56])[c:57]2[cH:58][cH:59][c:60]([C:63]([F:64])([F:65])[F:66])[cH:61][cH:62]2)[CH2:50][CH2:51][NH:52][CH2:53]1.[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:67][CH2:68][Cl:69].[ClH:46].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:81].[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19].[n:1]1[cH:2][c:3]([C:10](=[O:11])[OH:12])[c:4]2[n:5]1[cH:6][cH:7][cH:8][n:9]2.[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[n:1]1[cH:2][c:3]([C:10](=[O:12])[N:52]2[CH2:51][CH2:50][N:49]([S:54](=[O:55])(=[O:56])[c:57]3[cH:58][cH:59][c:60]([C:63]([F:64])([F:65])[F:66])[cH:61][cH:62]3)[CH:48]([CH3:47])[CH2:53]2)[c:4]2[n:5]1[cH:6][cH:7][cH:8][n:9]2Participants
11
Reactant 10
HCID 313Hydrochloric Acid
HCID 962Water
HCID 6228Dimethylformamide
HCID 6344Dichloromethane
HCID 8857Ethyl Acetate
HCID 9886Hexafluorophosphate
HCID 81531Diisopropylethylamine
HCID 1910189Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
HCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium
HCID 626736562-Methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazineProduct 1
Sources & evidence
- ORD record
- ord-3da13872e10e44d782ac704d413e23f6
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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