Hydrochloric Acid → N-methyl-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxide

HRID 124151Notes

Reaction equation

HRID 124151 reaction equation
[CH2:15]([n:16]1[c:17]([N+:18]([O-:19])=[O:20])[cH:21][n:22][c:23]1[CH:24]=[N+:25]([CH3:26])[O-:27])[CH2:28][CH3:29].[CH2:1]([CH3:2])[n:3]1[c:4]([CH:11]=[N+:12]([O-:13])[CH3:14])[n:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[CH2:50]([NH:51][OH:52])[c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:30][n:31]1[c:32]([N+:33]([O-:34])=[O:35])[cH:36][n:37][c:38]1[CH:39]=[N+:40]([CH2:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1)[O-:48].[CH3:59][n:60]1[c:61]([N+:62]([O-:63])=[O:64])[cH:65][n:66][c:67]1[CH:68]=[O:69].[ClH:49]>>[CH3:1][n:3]1[c:4]([CH:11]=[N+:12]([O-:13])[CH3:14])[n:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 784871-Methyl-5-nitro-1H-imidazole-2-carbaldehydeHCID 2794173BenzylhydroxylamineHCID 86734513alpha-(1-ethyl-5-nitroimidazol-2-yl)-N-methylnitroneHCID 86734514alpha-(1-propyl-5-nitroimidazol-2yl)-N-methylnitroneHCID 86734515alpha-(1-methyl-5-nitroimidazol-2-yl)-N-benzylnitrone

Product 1

HCID 302288N-methyl-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxide

Sources & evidence

ORD record
ord-f64e03c4217346649f4c827b27cdf807
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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