1,4-Dioxane → 3-Hexyl-6-isopropyl-6-(3-nitrophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

HRID 149388Notes

Reaction equation

HRID 149388 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[C:8](=[O:28])[CH:9]2[N:10]=[N:11][C:12]([c:16]3[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]3)([CH:25]([CH3:26])[CH3:27])[CH:13]2[C:14]1=[O:15].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[C:8](=[O:28])[CH:9]2[C:12]([c:16]3[cH:17][c:18]([N+:22](=[O:23])[O-:24])[cH:19][cH:20][cH:21]3)([CH:25]([CH3:26])[CH3:27])[CH:13]2[C:14]1=[O:15]

Participants

3

Reactant 2

HCID 312751,4-DioxaneHCID 221412935-Hexyl-3-isopropyl-3(3-nitrophenyl)-3a,6a-dihydropyrrolo(3,4-c)pyrazole-4,6(3H,5H) dione

Product 1

HCID 221412793-Hexyl-6-isopropyl-6-(3-nitrophenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

Sources & evidence

ORD record
ord-95db345dee2c4ae890689beb02d34bd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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