Potassium Cation → N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide

HRID 678807Notes

Reaction equation

HRID 678807 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([F:18])[c:6]([C:8]2([CH:15]([F:16])[F:17])[N:9]=[C:10]([NH2:14])[CH2:11][O:12][CH2:13]2)[cH:7]1.[C:19](#[N:20])[c:21]1[cH:22][c:23]([CH3:30])[c:24]([C:27](=[O:28])[NH2:29])[n:25][cH:26]1.[CH3:39][NH:40][CH2:41][CH2:42][NH:43][CH3:44].[Cu:45][I:46].[K+:36].[K+:37].[K+:38].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[P:31]([O-:32])([O-:33])([O-:34])=[O:35]>>[c:2]1([NH:29][C:27]([c:24]2[c:23]([CH3:30])[cH:22][c:21]([C:19]#[N:20])[cH:26][n:25]2)=[O:28])[cH:3][cH:4][c:5]([F:18])[c:6]([C:8]2([CH:15]([F:16])[F:17])[N:9]=[C:10]([NH2:14])[CH2:11][O:12][CH2:13]2)[cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 8070N,N'-DimethylethylenediamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 666655495-(5-bromo-2-fluoro-phenyl)-5-difluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-ylamineHCID 666659355-Cyano-3-methyl-2-pyridinecarboxamide

Product 1

HCID 66666028N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide

Sources & evidence

ORD record
ord-20452e07c0c54ff596195e321867e5ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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