p-Fluoronitrobenzene → 1-Acetyl-4-(4-nitrophenyl)-1,4-diazepane

HRID 2323668Notes

Reaction equation

HRID 2323668 reaction equation
[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][NH:7][CH2:8][CH2:9][CH2:10]1.[CH:11]([N:12]([CH2:13][CH3:14])[CH:15]([CH3:16])[CH3:17])([CH3:18])[CH3:19].[F:20][c:21]1[cH:22][cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[CH2:5][CH2:6][N:7]([c:21]2[cH:22][cH:23][c:24]([N+:27](=[O:28])[O-:29])[cH:25][cH:26]2)[CH2:8][CH2:9][CH2:10]1

Participants

4

Reactant 3

HCID 9590p-FluoronitrobenzeneHCID 81531DiisopropylethylamineHCID 4186202N-Acetylhomopiperazine

Product 1

HCID 594642511-Acetyl-4-(4-nitrophenyl)-1,4-diazepane

Sources & evidence

ORD record
ord-e52ff58a77a14f4982ccaa332c5f8ee1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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