Sodium ion → 3-[4-(trifluoromethyl)phenyl]prop-2-enyl 4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazine-1-carboxylate

HRID 2318471Notes

Reaction equation

HRID 2318471 reaction equation
[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[Cl:1][c:2]1[n:3]([CH2:10][C:11]([CH2:12][N:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH2:22][CH:23]=[CH:24][c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[CH2:17][CH2:18]2)([CH3:35])[OH:36])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[H-:37].[Na+:38].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[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]([C:19](=[O:20])[O:21][CH2:22][CH:23]=[CH:24][c:25]3[cH:26][cH:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[CH2:17][CH2:18]1)([CH3:35])[O:36]2

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 908968463-[4-(Trifluoromethyl)phenyl]prop-2-enyl 4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazine-1-carboxylate

Product 1

HCID 671572823-[4-(trifluoromethyl)phenyl]prop-2-enyl 4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazine-1-carboxylate

Sources & evidence

ORD record
ord-e088240788ef4db4b4dc73c171a50206
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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