Metronidazole → N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-1,2,3,6-tetrahydrophthalimide

HRID 2334650

Reaction equation

HRID 2334650 reaction equation
[C:1]1(=[O:11])[CH:2]2[CH:3]([C:4](=[O:6])[NH:5]1)[CH2:7][CH:8]=[CH:9][CH2:10]2.[K:12].[OH:13][S:14]([c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)(=[O:22])=[O:23].[OH:24][CH2:25][CH2:26][n:27]1[c:28]([CH3:35])[n:29][cH:30][c:31]1[N+:32](=[O:33])[O-:34]>>[C:1]1(=[O:11])[CH:2]2[CH:3]([C:4](=[O:6])[N:5]1[CH2:25][CH2:26][n:27]1[c:28]([CH3:35])[n:29][cH:30][c:31]1[N+:32](=[O:33])[O-:34])[CH2:7][CH:8]=[CH:9][CH2:10]2

Participants

5

Reactant 4

HCID 4173MetronidazoleHCID 6101p-Toluenesulfonic acidHCID 68081,2,3,6-TetrahydrophthalimideHCID 5462222Potassium

Product 1

HCID 21491658N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]-1,2,3,6-tetrahydrophthalimide

Sources & evidence

ORD record
ord-f3ced99e5620456196bbb951769fa70a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Linked notes

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