Hexafluorophosphate → 4-{4-[2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperazin-1-yl}-benzoic acid methyl ester

HRID 168387Notes

Reaction equation

HRID 168387 reaction equation
[CH3:25][O:26][C:27]([c:28]1[cH:29][cH:30][c:31]([N:34]2[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2)[cH:32][cH:33]1)=[O:40].[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].[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>>[CH3:25][O:26][C:27]([c:28]1[cH:29][cH:30][c:31]([N:34]2[CH2:35][CH2:36][N:37]([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])[CH2:38][CH2:39]2)[cH:32][cH:33]1)=[O:40]

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 15429161Methyl 4-(piperazin-1-yl)benzoate

Product 1

HCID 587780144-{4-[2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-piperazin-1-yl}-benzoic acid methyl ester

Sources & evidence

ORD record
ord-b70e7a08d80043ce8676a17848ab6749
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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