Calcium Cation → 3-(3-Hexyl-6-propyl-3-azabicyclo[3.1.0]hex-6-yl)aniline

HRID 2321838Notes

Reaction equation

HRID 2321838 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[CH2:8][CH:9]2[C:10]([CH2:13][CH2:14][CH3:15])([c:16]3[cH:17][c:18]([N+:22]([O-:23])=[O:24])[cH:19][cH:20][cH:21]3)[CH:11]2[CH2:12]1.[CH3:25][CH2:26][OH:27].[Ca+2:30].[Cl-:28].[Cl-:29].[Fe:32].[OH2:31]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[N:7]1[CH2:8][CH:9]2[C:10]([CH2:13][CH2:14][CH3:15])([c:16]3[cH:17][c:18]([NH2:22])[cH:19][cH:20][cH:21]3)[CH:11]2[CH2:12]1

Participants

7

Reactant 6

HCID 271Calcium CationHCID 312Chloride2×HCID 702EthanolHCID 962WaterHCID 23925IronHCID 221412823-Hexyl-6-(3-nitrophenyl)-6-propyl-3-azabicyclo[3.1.0]hexane

Product 1

HCID 221413083-(3-Hexyl-6-propyl-3-azabicyclo[3.1.0]hex-6-yl)aniline

Sources & evidence

ORD record
ord-f5e3668ff14947bea432577cbeeb4b08
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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