Hydrochloric Acid → N-(1-cyanocyclopropyl)-5,5-difluoro-2-[4-(4-methylsulfonylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexane-1-carboxamide

HRID 2139625Notes

Reaction equation

HRID 2139625 reaction equation
[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[ClH:41].[F:10][C:11]1([F:40])[CH2:12][CH2:13][CH:14]([c:20]2[n:21][n:22]([CH2:35][C:36]([F:37])([F:38])[F:39])[cH:23][c:24]2-[c:25]2[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]2)[CH:15]([C:17](=[O:18])[OH:19])[CH2:16]1.[NH2:42][C:43]1([C:46]#[N:47])[CH2:44][CH2:45]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:48]([F:49])([F:50])([F:51])([F:52])([F:53])[F:54].[n:55]1([O:56][C:57]([N:58]([CH3:59])[CH3:60])=[N+:61]([CH3:62])[CH3:63])[c:64]2[n:65][cH:66][cH:67][cH:68][c:69]2[n:70][n:71]1>>[F:10][C:11]1([F:40])[CH2:12][CH2:13][CH:14]([c:20]2[n:21][n:22]([CH2:35][C:36]([F:37])([F:38])[F:39])[cH:23][c:24]2-[c:25]2[cH:26][cH:27][c:28]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:29][cH:30]2)[CH:15]([C:17](=[O:18])[NH:42][C:43]2([C:46]#[N:47])[CH2:44][CH2:45]2)[CH2:16]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 5568881-AminocyclopropanecarbonitrileHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178504680HCID 178504680, compound

Product 1

HCID 68371725N-(1-cyanocyclopropyl)-5,5-difluoro-2-[4-(4-methylsulfonylphenyl)-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]cyclohexane-1-carboxamide

Sources & evidence

ORD record
ord-ead568fed2b1490e846e80a81dab3726
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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