Potassium Cation → Tetrahydro-4-(2-methyl-4-nitrophenyl)-1,4-oxazepin-5(2H)-one

HRID 118968Notes

Reaction equation

HRID 118968 reaction equation
[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][NH2:33].[Cu:34][I:35].[I:17][c:18]1[c:19]([CH3:27])[cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1.[K+:6].[K+:7].[K+:8].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[O:9]1[CH2:10][CH2:11][NH:12][C:13](=[O:16])[CH2:14][CH2:15]1.[P:1]([O-:2])([O-:3])([O-:4])=[O:5]>>[O:9]1[CH2:10][CH2:11][N:12]([c:18]2[c:19]([CH3:27])[cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]2)[C:13](=[O:16])[CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 66053N,N-DimethylethylenediamineHCID 792252-Iodo-5-nitrotolueneHCID 70230201,4-Oxazepan-5-one

Product 1

HCID 59586730Tetrahydro-4-(2-methyl-4-nitrophenyl)-1,4-oxazepin-5(2H)-one

Sources & evidence

ORD record
ord-ae2ed13cd0cd49ad9ed433d649d6c49e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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