Potassium Cation → HCID 67074925, compound

HRID 112636Notes

Reaction equation

HRID 112636 reaction equation
[CH3:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[CH3:49][O:50][C:51]([CH2:52][CH:53]([CH2:54][NH:55][CH2:56][CH:57]([O:58][CH3:59])[O:60][CH3:61])[OH:62])=[O:63].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[Cl:1][c:2]1[cH:3][c:4]([NH:12][CH:13]([C:14](=[O:15])[OH:16])[CH3:17])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[K+:69].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[S:64](=[O:65])(=[O:66])([OH:67])[O-:68].[n:32]1([O:33][C:34]([N:35]([CH3:36])[CH3:37])=[N+:38]([CH3:39])[CH3:40])[c:41]2[n:42][cH:43][cH:44][cH:45][c:46]2[n:47][n:48]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:12][CH:13]([C:14](=[O:16])[N:55]([CH2:54][CH:53]([CH2:52][C:51]([O:50][CH3:49])=[O:63])[OH:62])[CH2:56][CH:57]([O:58][CH3:59])[O:60][CH3:61])[CH3:17])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]

Participants

10

Reactant 9

HCID 813Potassium CationHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 61778Sulfate, hydrogenHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 66782716HCID 66782716, compoundHCID 87259283HCID 87259283, compound

Product 1

HCID 67074925HCID 67074925, compound

Sources & evidence

ORD record
ord-bef71a7d340046b5b59e10150b820d68
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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