Sodium ion → 1-(2-Chloro-4-nitroimidazol-1-yl)-2-methyl-3-[4-(4-trifluoromethylphenoxy)piperidin-1-yl]propan-2-ol

HRID 1554879Notes

Reaction equation

HRID 1554879 reaction equation
[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][O:13][S:14]([c:15]2[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]2)(=[O:22])=[O:23])([CH3:24])[OH:25])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[F:26][C:27]([c:28]1[cH:29][cH:30][c:31]([O:32][CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:39][cH:40]1)([F:41])[F:42].[I-:44].[Na+:43].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:57]>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][N:36]2[CH2:35][CH2:34][CH:33]([O:32][c:31]3[cH:30][cH:29][c:28]([C:27]([F:26])([F:41])[F:42])[cH:40][cH:39]3)[CH2:38][CH2:37]2)([CH3:24])[OH:25])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8471TriethylamineHCID 30165Iodide IonHCID 36883924-(4-(Trifluoromethyl)phenoxy)piperidineHCID 230812352-Chloro-1-[2-hydroxy-2-methyl-3-(4-methylbenzenesulfonyloxy)propyl]-4-nitroimidazole

Product 1

HCID 230811331-(2-Chloro-4-nitroimidazol-1-yl)-2-methyl-3-[4-(4-trifluoromethylphenoxy)piperidin-1-yl]propan-2-ol

Sources & evidence

ORD record
ord-9226864243e84f0fb3907a0cfcf9bc44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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