Isopropanol → 1-(3-nitro-2-pyrazinyl)hexahydro-1H-1,4-diazepin-5-one

HRID 167209

Reaction equation

HRID 167209 reaction equation
[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[CH:26]([OH:27])([CH3:28])[CH3:29].[CH:30]([Cl:31])([Cl:32])[Cl:33].[Cl:16][c:17]1[n:18][cH:19][cH:20][n:21][c:22]1[N+:23](=[O:24])[O-:25].[NH:1]1[CH2:2][CH2:3][NH:4][C:5](=[O:8])[CH2:6][CH2:7]1>>[N:1]1([c:17]2[n:18][cH:19][cH:20][n:21][c:22]2[N+:23](=[O:24])[O-:25])[CH2:2][CH2:3][NH:4][C:5](=[O:8])[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 6212ChloroformHCID 8471TriethylamineHCID 27372641,4-Diazepan-5-oneHCID 159142352-Chloro-3-nitropyrazine

Product 1

HCID 202293891-(3-nitro-2-pyrazinyl)hexahydro-1H-1,4-diazepin-5-one

Sources & evidence

ORD record
ord-a72ac5dfbc8b434f8362e5dfb58d8653
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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