Dimethylformamide → Tert-butyl 1-(4-(5-(3-phenyl-4-(2,2,2-trifluoroethylcarbamoyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

HRID 701388Notes

Reaction equation

HRID 701388 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH2:9][N:10]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][o:21][c:22](-[c:24]4[c:25]([C:35](=[O:36])[OH:37])[c:26](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[n:27][o:28]4)[n:23]3)[cH:17][cH:18]2)[CH2:11]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[F:38][C:39]([CH2:40][NH2:41])([F:42])[F:43].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[CH2:9][N:10]([CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[n:20][o:21][c:22](-[c:24]4[c:25]([C:35](=[O:37])[NH:41][CH2:40][C:39]([F:38])([F:42])[F:43])[c:26](-[c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)[n:27][o:28]4)[n:23]3)[cH:17][cH:18]2)[CH2:11]1

Participants

5

Reactant 4

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 9773Ethanamine, 2,2,2-trifluoro-HCID 67459061HCID 67459061, compound

Product 1

HCID 67458998Tert-butyl 1-(4-(5-(3-phenyl-4-(2,2,2-trifluoroethylcarbamoyl)isoxazol-5-yl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylate

Sources & evidence

ORD record
ord-bbdb8703816448feb32c708478c2c4f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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