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

HRID 2313537Notes

Reaction equation

HRID 2313537 reaction equation
[Cl:25][c:26]1[cH:27][c:28]([O:38][CH3:39])[c:29]([N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37]2)[cH:30][cH:31]1.[Cl:40][c:41]1[c:42]([C:51]([F:52])([F:53])[F:54])[n:43][n:44]([CH2:47][C:48](=[O:49])[OH:50])[c:45]1[CH3:46].[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[cH:27][c:28]([O:38][CH3:39])[c:29]([N:32]2[CH2:33][CH2:34][N:35]([C:48]([CH2:47][n:44]3[n:43][c:42]([C:51]([F:52])([F:53])[F:54])[c:41]([Cl:40])[c:45]3[CH3:46])=[O:49])[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 158406631-(4-Chloro-2-methoxyphenyl)piperazine

Product 1

HCID 210710872-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-chloro-2-methoxy-phenyl)-piperazin-1-yl]-ethanone

Sources & evidence

ORD record
ord-6edf2e9a831d422690722596dc288431
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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