Ethanol → [5-(5-Azido-2-fluoro-phenyl)-5-difluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester

HRID 2315744Notes

Reaction equation

HRID 2315744 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH:14]([F:15])[F:16])([c:17]2[c:18]([F:24])[cH:19][cH:20][c:21]([Br:23])[cH:22]2)[CH2:11][O:10][CH2:9]1)=[O:25].[C:44]([O:45][CH3:46])([CH3:47])([CH3:48])[CH3:49].[CH3:26][NH:27][CH:28]1[CH2:29][CH2:30][CH2:31][CH2:32][CH:33]1[NH:34][CH3:35].[CH3:40][CH2:41][OH:42].[Cu:50][I:51].[N-:37]=[N+:38]=[N-:39].[Na+:36].[OH2:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1=[N:13][C:12]([CH:14]([F:15])[F:16])([c:17]2[c:18]([F:24])[cH:19][cH:20][c:21]([N:37]=[N+:38]=[N-:39])[cH:22]2)[CH2:11][O:10][CH2:9]1)=[O:25]

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 15413tert-Butyl methyl etherHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 33558AzideHCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 66665878HCID 66665878, compound

Product 1

HCID 86650258[5-(5-Azido-2-fluoro-phenyl)-5-difluoromethyl-5,6-dihydro-2H-[1,4]oxazin-3-yl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-587cbd3d3c214a2fbb4c0ed2de08404b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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