Water → 3-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[3-[2-(2-chloro-6-nitrophenyl)sulfanyl-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate

HRID 803011Notes

Reaction equation

HRID 803011 reaction equation
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:6][c:7]1[c:8]([S:16][c:17]2[n:18]([CH2:25][C:26]3([CH3:29])[O:27][CH2:28]3)[cH:19][c:20]([N+:22](=[O:23])[O-:24])[n:21]2)[c:9]([N+:13](=[O:14])[O-:15])[cH:10][cH:11][cH:12]1.[N:30]1([C:36](=[O:37])[O:38][CH2:39][CH:40]=[CH:41][c:42]2[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]2)[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]1.[OH2:52]>>[Cl:6][c:7]1[c:8]([S:16][c:17]2[n:18]([CH2:25][C:26]([OH:27])([CH2:28][N:33]3[CH2:32][CH2:31][N:30]([C:36](=[O:37])[O:38][CH2:39][CH:40]=[CH:41][c:42]4[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]4)[CH2:35][CH2:34]3)[CH3:29])[cH:19][c:20]([N+:22](=[O:23])[O-:24])[n:21]2)[c:9]([N+:13](=[O:14])[O-:15])[cH:10][cH:11][cH:12]1

Participants

6

Reactant 5

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 665893003-(4-Trifluoromethylphenyl)-2-propenyl piperazine-1-carboxylateHCID 870634242-(2-Chloro-6-nitrophenyl)sulfanyl-1-[(2-methyloxiran-2-yl)methyl]-4-nitroimidazole

Product 1

HCID 913372743-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[3-[2-(2-chloro-6-nitrophenyl)sulfanyl-4-nitroimidazol-1-yl]-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-adbf822d11ca46f195653b2c5a2f3c14
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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