Hexafluorophosphate → HCID 25105813, compound

HRID 2322678Notes

Reaction equation

HRID 2322678 reaction equation
[Br:33][c:34]1[c:35]([C:36](=[O:37])[OH:38])[cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]1.[O-:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[c:1]1([CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]2[cH:14][n:15][c:16]([N:18]3[CH2:19][C:20]4=[C:24]([CH2:23][NH:22][CH2:21]4)[CH2:25]3)[s:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[c:1]1([CH2:7][CH2:8][CH2:9][NH:10][C:11](=[O:12])[c:13]2[cH:14][n:15][c:16]([N:18]3[CH2:19][C:20]4=[C:24]([CH2:23][N:22]([C:36]([c:35]5[c:34]([Br:33])[cH:42][cH:41][c:40]([O:43][CH3:44])[cH:39]5)=[O:37])[CH2:21]4)[CH2:25]3)[s:17]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

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 58459775HCID 58459775, compound

Product 1

HCID 25105813HCID 25105813, compound

Sources & evidence

ORD record
ord-4b67c3fdecf74a08b7c34a1c740554b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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