Potassium Cation → 2-[4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazin-1-yl]-N-(4-trifluoromethylphenyl)acetamide

HRID 2133335Notes

Reaction equation

HRID 2133335 reaction equation
[Br:41][CH2:42][C:43](=[O:44])[NH:45][c:46]1[cH:47][cH:48][c:49]([C:52]([F:53])([F:54])[F:55])[cH:50][cH:51]1.[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][C:15]2([CH3:26])[CH2:16][n:17]3[c:18]([n:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]3)[O:19]2)[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[C:56](=[O:57])([O-:58])[O-:59].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[I-:63].[K+:60].[K+:61].[Na+:62].[OH2:64].[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[CH2:6]([N:8]1[CH2:9][CH2:10][N:11]([CH2:14][C:15]2([CH3:26])[CH2:16][n:17]3[c:18]([n:20][c:21]([N+:23](=[O:24])[O-:25])[cH:22]3)[O:19]2)[CH2:12][CH2:13]1)[C:43](=[O:44])[NH:45][c:46]1[cH:47][cH:48][c:49]([C:52]([F:53])([F:54])[F:55])[cH:50][cH:51]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 19660Carbonate IonHCID 30165Iodide IonHCID 27732524-(Trifluoromethyl)-alpha-bromo-acetanilideHCID 230810802-(4-Tert-butoxycarbonylpiperazin-1-yl)methyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole

Product 1

HCID 694814442-[4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethyl)piperazin-1-yl]-N-(4-trifluoromethylphenyl)acetamide

Sources & evidence

ORD record
ord-44fae9eae7604c1cb4c5459cf85ce786
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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