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

HRID 1132441Notes

Reaction equation

HRID 1132441 reaction equation
[CH2:18]([CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[N:24]1[C:25](=[O:30])[CH:26]=[CH:27][C:28]1=[O:29].[F:1][C:2]([CH2:3][C:4](=[N:5][NH2:6])[c:7]1[cH:8][c:9]([N+:13](=[O:14])[O-:15])[cH:10][cH:11][cH:12]1)([F:16])[F:17].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[F:1][C:2]([CH2:3][C:4]1([c:7]2[cH:8][c:9]([N+:13](=[O:14])[O-:15])[cH:10][cH:11][cH:12]2)[CH:26]2[C:25](=[O:30])[N:24]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[C:28](=[O:29])[CH:27]12)([F:16])[F:17]

Participants

4

Reactant 3

HCID 312751,4-DioxaneHCID 4641341-Hexylpyrrole-2,5-dioneHCID 736985983,3,3-Trifluoro-1-(3-nitrophenyl)-1-propanone hydrazone

Product 1

HCID 221412833-Hexyl-6-(3-nitrophenyl)-6-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

Sources & evidence

ORD record
ord-15e7d695139b4fa7adc48e08a31ab914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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