Sodium ion → N-[4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine

HRID 313643Notes

Reaction equation

HRID 313643 reaction equation
[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][N:13]2[CH2:14][CH2:15][N:16]([N:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[CH2:17][CH2:18]2)([OH:31])[CH3:32])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[H-:38].[Na+:39].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:40]>>[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]([N:19]=[CH:20][c:21]3[cH:22][cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]3)[CH2:17][CH2:18]1)([CH3:32])[O:31]2

Participants

6

Reactant 5

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 694815711-(2-Chloro-4-nitroimidazol-1-yl)-2-methyl-3-[4-[[4-(trifluoromethyl)phenyl]methylideneamino]piperazin-1-yl]propan-2-ol

Product 1

HCID 66887962N-[4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazin-1-yl]-1-[4-(trifluoromethyl)phenyl]methanimine

Sources & evidence

ORD record
ord-e8ca2b58fca84e44a7eff2272ffaf914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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