Hexafluorophosphate → 1-[4-(4-Chloro-3-isopropoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

HRID 307631Notes

Reaction equation

HRID 307631 reaction equation
[Cl:25][c:26]1[c:27]([O:38][CH:39]([CH3:40])[CH3:41])[cH:28][c:29]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:30][cH:31]1.[Cl:42][c:43]1[c:44]([C:53]([F:54])([F:55])[F:56])[n:45][n:46]([CH2:49][C:50](=[O:51])[OH:52])[c:47]1[CH3:48].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[Cl:25][c:26]1[c:27]([O:38][CH:39]([CH3:40])[CH3:41])[cH:28][c:29]([N:32]2[CH2:33][CH2:34][N:35]([C:50]([CH2:49][n:46]3[n:45][c:44]([C:53]([F:54])([F:55])[F:56])[c:43]([Cl:42])[c:47]3[CH3:48])=[O:51])[CH2:36][CH2:37]2)[cH:30][cH:31]1

Participants

5

Reactant 4

HCID 9886HexafluorophosphateHCID 1876853(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210710221-(4-Chloro-3-isopropoxy-phenyl)-piperazine

Product 1

HCID 210709841-[4-(4-Chloro-3-isopropoxy-phenyl)-piperazin-1-yl]-2-(4-chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-ethanone

Sources & evidence

ORD record
ord-c763e92e9cad4bb8ad1d3c61c3eb5013
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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