1-Butanol → 1-(4-Nitrophenyl)-1,4-diazepane

HRID 298762Notes

Reaction equation

HRID 298762 reaction equation
[CH2:18]([OH:19])[CH2:20][CH2:21][CH3:22].[Cl:8][c:9]1[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]1.[NH:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([c:9]2[cH:10][cH:11][c:12]([N+:15](=[O:16])[O-:17])[cH:13][cH:14]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 2631-ButanolHCID 74741-Chloro-4-nitrobenzeneHCID 68163Hexahydro-1,4-diazepine

Product 1

HCID 50559501-(4-Nitrophenyl)-1,4-diazepane

Sources & evidence

ORD record
ord-ed751c97db6d46c495ff59de8a80266d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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