Ethyl Acetate → 2-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole

HRID 291081Notes

Reaction equation

HRID 291081 reaction equation
[CH2:20]1[CH2:21][CH2:22][C:23]2=[N:28][CH2:27][CH2:26][CH2:25][N:24]2[CH2:29][CH2:30]1.[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][S:14]([CH3:15])(=[O:16])=[O:17])([CH3:18])[OH:19])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]2([CH3:18])[CH2:12][O:19]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

4

Reactant 3

HCID 8857Ethyl AcetateHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 23081345(betaR)-2-Chloro-beta-hydroxy-beta-methyl-4-nitro-1H-imidazole-1-propanol1-Methanesulfonate

Product 1

HCID 159655232-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole

Sources & evidence

ORD record
ord-27eca5539b184c3386a5e3588af4ddc1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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