Trifluoroacetic acid → 2-[[4-[3-(4-chlorophenyl)propylsulfonyl]piperazin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

HRID 209875Notes

Reaction equation

HRID 209875 reaction equation
[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:18][CH2:19]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[Cl:34][c:35]1[cH:36][cH:37][c:38]([CH2:41][CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[Cl:47])[cH:39][cH:40]1.[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([S:44]([CH2:43][CH2:42][CH2:41][c:38]3[cH:37][cH:36][c:35]([Cl:34])[cH:40][cH:39]3)(=[O:45])=[O:46])[CH2:18][CH2:19]2)[CH2:3][n:4]2[c:5]([n:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]2)[O:6]1

Participants

5

Reactant 4

HCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 230810802-(4-Tert-butoxycarbonylpiperazin-1-yl)methyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazoleHCID 230811943-(4-Chlorophenyl)propane-1-sulfonyl chloride

Product 1

HCID 694812532-[[4-[3-(4-chlorophenyl)propylsulfonyl]piperazin-1-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

Sources & evidence

ORD record
ord-6b03dd8d37854a7ead9a840b69346df2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…