Potassium Cation → [4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazin-1-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

HRID 2125540Notes

Reaction equation

HRID 2125540 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH2:72]([Cl:73])[Cl:74].[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[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.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[F:47][C:48]([c:49]1[cH:50][cH:51][c:52]([CH:55]2[CH2:56][CH2:57][N:58]([C:61]([Cl:62])=[O:63])[CH2:59][CH2:60]2)[cH:53][cH:54]1)([F:64])[F:65].[K+:45].[K+:46].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[CH3:1][C:2]1([CH2:13][N:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[N:58]3[CH2:57][CH2:56][CH:55]([c:52]4[cH:51][cH:50][c:49]([C:48]([F:47])([F:64])[F:65])[cH:54][cH:53]4)[CH2:60][CH2:59]3)[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

10

Reactant 9

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8471TriethylamineHCID 19660Carbonate IonHCID 230810802-(4-Tert-butoxycarbonylpiperazin-1-yl)methyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazoleHCID 230815264-(4-Trifluoromethylphenyl)-piperidine-1-carbonylchloride

Product 1

HCID 69479826[4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]piperazin-1-yl]-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone

Sources & evidence

ORD record
ord-d54371f2df3843018cf72e46cd9a8131
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…