Hydrochloric Acid → Tert-butyl 1-[[2-fluoro-4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylate

HRID 1572451Notes

Reaction equation

HRID 1572451 reaction equation
[Br:1][CH2:2][c:3]1[c:4]([F:29])[cH:5][c:6](-[c:9]2[n:10][o:11][c:12](-[c:14]3[c:15]([C:25]([F:26])([F:27])[F:28])[c:16](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:17][o:18]3)[n:13]2)[cH:7][cH:8]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[Cl:49][CH2:50][Cl:51].[ClH:41].[NH:30]1[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]1>>[CH2:2]([c:3]1[c:4]([F:29])[cH:5][c:6](-[c:9]2[n:10][o:11][c:12](-[c:14]3[c:15]([C:25]([F:26])([F:27])[F:28])[c:16](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:17][o:18]3)[n:13]2)[cH:7][cH:8]1)[N:30]1[CH2:31][CH:32]([C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:33]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 21828700tert-Butyl azetidine-3-carboxylateHCID 674561223-(4-(Bromomethyl)-3-fluorophenyl)-5-(3-phenyl-4-(trifluoromethyl)isoxazol-5-yl)-1,2,4-oxadiazole

Product 1

HCID 67457878Tert-butyl 1-[[2-fluoro-4-[5-[3-phenyl-4-(trifluoromethyl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylate

Sources & evidence

ORD record
ord-43d4866b9a7d439c85bf0de6b28fb86b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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