Water → 3-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate

HRID 2125035Notes

Reaction equation

HRID 2125035 reaction equation
[Cl:1][c:2]1[n:3]([CH2:10][C:11]2([CH3:14])[O:12][CH2:13]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[N:15]1([C:21](=[O:22])[O:23][CH2:24][CH:25]=[CH:26][c:27]2[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]2)[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:37]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([OH:12])([CH2:13][N:18]2[CH2:17][CH2:16][N:15]([C:21](=[O:22])[O:23][CH2:24][CH:25]=[CH:26][c:27]3[cH:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[CH2:20][CH2:19]2)[CH3:14])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 159655232-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazoleHCID 665893003-(4-Trifluoromethylphenyl)-2-propenyl piperazine-1-carboxylate

Product 1

HCID 908968463-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-8267260e740f4643a57a9bbb45439a54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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