Dimethylformamide → (6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)-[2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

HRID 2152539Notes

Reaction equation

HRID 2152539 reaction equation
[CH3:48][CH:49]1[CH2:50][N:51]([S:55](=[O:56])(=[O:57])[c:58]2[cH:59][cH:60][c:61]([C:64]([F:65])([F:66])[F:67])[cH:62][cH:63]2)[CH2:52][CH2:53][NH:54]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[F:2][c:3]1[cH:4][n:5][c:6]2[n:7]([cH:8]1)[n:9][cH:10][c:11]2[C:12](=[O:13])[O-:14].[Li:1].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[P-:15]([F:16])([F:17])([F:18])([F:19])([F:20])[F:21].[n:22]1([O:23][C:24]([N:25]([CH3:26])[CH3:27])=[N+:28]([CH3:29])[CH3:30])[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[F:2][c:3]1[cH:4][n:5][c:6]2[n:7]([cH:8]1)[n:9][cH:10][c:11]2[C:12](=[O:14])[N:54]1[CH:49]([CH3:48])[CH2:50][N:51]([S:55](=[O:56])(=[O:57])[c:58]2[cH:59][cH:60][c:61]([C:64]([F:65])([F:66])[F:67])[cH:62][cH:63]2)[CH2:52][CH2:53]1

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 3028194LithiumHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 591520706-Fluoropyrazolo[1,5-a]pyrimidine-3-carboxylateHCID 654490013-Methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine

Product 1

HCID 77158074(6-Fluoropyrazolo[1,5-a]pyrimidin-3-yl)-[2-methyl-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Sources & evidence

ORD record
ord-aca508ecde7b47299d6405279d31ee25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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