Hexafluorophosphate → 1-[2-(4-Chloro-5-methyl-3-oxazol-2-yl-pyrazol-1-yl)-acetyl]-4-(4-chloro-phenyl)-piperidine-4-carbonitrile

HRID 299356Notes

Reaction equation

HRID 299356 reaction equation
[CH3:56][N:57]1[CH2:58][CH2:59][CH2:60][C:61]1=[O:62].[Cl:16][c:17]1[c:18](-[c:27]2[o:28][cH:29][cH:30][n:31]2)[n:19][n:20]([CH2:23][C:24](=[O:25])[OH:26])[c:21]1[CH3:22].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14]#[N:15])[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:6][cH:7]1.[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][C:41]([N:42]([CH3:43])[CH3:44])=[N+:45]([CH3:46])[CH3:47])[c:48]2[n:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([C:14]#[N:15])[CH2:9][CH2:10][N:11]([C:24]([CH2:23][n:20]3[n:19][c:18](-[c:27]4[o:28][cH:29][cH:30][n:31]4)[c:17]([Cl:16])[c:21]3[CH3:22])=[O:25])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 13387N-methyl-2-pyrrolidoneHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 229935654-(4-Chlorophenyl)piperidine-4-carbonitrileHCID 59813981(4-Chloro-5-methyl-3-oxazol-2-yl-pyrazol-1-yl)-acetic acid

Product 1

HCID 161282731-[2-(4-Chloro-5-methyl-3-oxazol-2-yl-pyrazol-1-yl)-acetyl]-4-(4-chloro-phenyl)-piperidine-4-carbonitrile

Sources & evidence

ORD record
ord-f23a01bd0441450e86ce6831021158ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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