Sodium ion → 2-methyl-6-nitro-2-[[4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]piperazin-1-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole

HRID 92483Notes

Reaction equation

HRID 92483 reaction equation
[Br:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][N:13]2[CH2:14][CH2:15][N:16]([CH:19]3[CH2:20][CH2:21][N:22]([c:25]4[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]4)[CH2:23][CH2:24]3)[CH2:17][CH2:18]2)([OH:36])[CH3:37])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[H-:38].[Na+:39].[OH2:46]>>[c:2]12[n:3]([cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1)[CH2:10][C:11]([CH2:12][N:13]1[CH2:14][CH2:15][N:16]([CH:19]3[CH2:20][CH2:21][N:22]([c:25]4[cH:26][cH:27][c:28]([O:31][C:32]([F:33])([F:34])[F:35])[cH:29][cH:30]4)[CH2:23][CH2:24]3)[CH2:17][CH2:18]1)([CH3:37])[O:36]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 230811851-(2-Bromo-4-nitroimidazol-1-yl)-2-methyl-3-[4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]piperazin-1-yl]propan-2-ol

Product 1

HCID 230814442-methyl-6-nitro-2-[[4-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]piperazin-1-yl]methyl]-3H-imidazo[2,1-b][1,3]oxazole

Sources & evidence

ORD record
ord-a794e98bc5414a7b89c6bb08368832e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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