Hexafluorophosphate → HCID 21071096, compound

HRID 134452

Reaction equation

HRID 134452 reaction equation
[CH3:25][O:26][c:27]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:31][cH:32]1.[Cl:39][c:40]1[c:41]([C:50]([F:51])([F:52])[F:53])[n:42][n:43]([CH2:46][C:47](=[O:48])[OH:49])[c:44]1[CH3:45].[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]1[cH:28][cH:29][c:30]([N:33]2[CH2:34][CH2:35][N:36]([C:47]([CH2:46][n:43]3[n:42][c:41]([C:50]([F:51])([F:52])[F:53])[c:40]([Cl:39])[c:44]3[CH3:45])=[O:48])[CH2:37][CH2:38]2)[cH:31][cH:32]1

Participants

5

Reactant 4

HCID 9886HexafluorophosphateHCID 2697221-(4-Methoxyphenyl)piperazineHCID 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 21071096HCID 21071096, compound

Sources & evidence

ORD record
ord-bb889fd177524b2995325d88be596902
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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