1-(3-(Trifluoromethyl)phenyl)piperazine → HCID 21071084, compound

HRID 138078

Reaction equation

HRID 138078 reaction equation
[Cl:41][c:42]1[c:43]([C:52]([F:53])([F:54])[F:55])[n:44][n:45]([CH2:48][C:49](=[O:50])[OH:51])[c:46]1[CH3:47].[F:25][C:26]([c:27]1[cH:28][c:29]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:30][cH:31][cH:32]1)([F:39])[F:40].[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>>[F:25][C:26]([c:27]1[cH:28][c:29]([N:33]2[CH2:34][CH2:35][N:36]([C:49]([CH2:48][n:45]3[n:44][c:43]([C:52]([F:53])([F:54])[F:55])[c:42]([Cl:41])[c:46]3[CH3:47])=[O:50])[CH2:37][CH2:38]2)[cH:30][cH:31][cH:32]1)([F:39])[F:40]

Participants

5

Reactant 4

HCID 42961-(3-(Trifluoromethyl)phenyl)piperazineHCID 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)methaniminium

Product 1

HCID 21071084HCID 21071084, compound

Sources & evidence

ORD record
ord-be294347dc644131aaaf0aafc4c430a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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