Acetic Acid → 6-Nitro-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole

HRID 1125903Notes

Reaction equation

HRID 1125903 reaction equation
[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:52][C:53](=[O:54])[OH:55].[F:40][C:41]([c:42]1[cH:43][cH:44][c:45]([CH:46]=[O:47])[cH:48][cH:49]1)([F:50])[F:51].[N+:1](=[O:2])([O-:3])[c:4]1[n:5][c:6]2[n:10]([cH:11]1)[CH2:9][CH:8]([CH2:12][N:13]1[CH2:14][CH2:15][N:16]([C:19]([O:20][C:21]([CH3:22])([CH3:23])[CH3:24])=[O:25])[CH2:17][CH2:18]1)[O:7]2.[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32]>>[N+:1](=[O:2])([O-:3])[c:4]1[n:5][c:6]2[n:10]([cH:11]1)[CH2:9][CH:8]([CH2:12][N:13]1[CH2:14][CH2:15][N:16]([CH2:19][c:45]3[cH:44][cH:43][c:42]([C:41]([F:40])([F:50])[F:51])[cH:49][cH:48]3)[CH2:17][CH2:18]1)[O:7]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 679964-(Trifluoromethyl)benzaldehydeHCID 23081438Tert-butyl 4-(6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazine-1-carboxylate

Product 1

HCID 230812626-Nitro-2-[[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]-2,3-dihydroimidazo[2,1-b][1,3]oxazole

Sources & evidence

ORD record
ord-d0590f1c44b84fd98a1eeb3262d95c1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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