Hexafluorophosphate → HCID 25105812, compound

HRID 687362Notes

Reaction equation

HRID 687362 reaction equation
[Br:29][c:30]1[c:31]([C:32](=[O:33])[OH:34])[cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]1.[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[cH:9][n:10][c:11]([N:13]2[CH2:14][C:15]3=[C:19]([CH2:18][NH:17][CH2:16]3)[CH2:20]2)[s:12]1)[CH3:21].[O-:22][C:23]([C:24]([F:25])([F:26])[F:27])=[O:28].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[n:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[CH3:1][CH:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[cH:9][n:10][c:11]([N:13]2[CH2:14][C:15]3=[C:19]([CH2:18][N:17]([C:32]([c:31]4[c:30]([Br:29])[cH:38][cH:37][c:36]([O:39][CH3:40])[cH:35]4)=[O:33])[CH2:16]3)[CH2:20]2)[s:12]1)[CH3:21]

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 84468TrifluoroacetateHCID 899062-Bromo-5-methoxybenzoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58459774HCID 58459774, compound

Product 1

HCID 25105812HCID 25105812, compound

Sources & evidence

ORD record
ord-ffa44ee7761a420bb9180cbd4e75b15c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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