Water → Tert-butyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate

HRID 2317203Notes

Reaction equation

HRID 2317203 reaction equation
[Cl:1][c:2]1[n:3]([CH2:10][CH:11]2[O:12][CH2:13]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[N:14]1([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]1.[O:27]=[CH:28][N:29]([CH3:30])[CH3:31].[OH2:32]>>[Cl:1][c:2]1[n:3]([CH2:10][CH:11]([OH:12])[CH2:13][N:17]2[CH2:16][CH2:15][N:14]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19][CH2:18]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 143452tert-Butyl piperazine-1-carboxylateHCID 230814932-Chloro-4-nitro-1-(oxiran-2-ylmethyl)imidazole

Product 1

HCID 69479198Tert-butyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxypropyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-a02b97766f0d4ceb9d69a6f3f6d9a5d5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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