Dimethylformamide → 3-[5-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl]-2,2,3-trifluoropropanoic acid

HRID 111785Notes

Reaction equation

HRID 111785 reaction equation
[Br:32][CH:33]([C:34]([C:35](=[O:36])[OH:37])([F:38])[F:39])[F:40].[C:26](=[O:27])([O-:28])[O-:29].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[cH:20][cH:21][nH:22][c:23]4[cH:24][cH:25]3)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[Cs+:30].[Cs+:31].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14](-[c:17]3[cH:18][c:19]4[cH:20][cH:21][n:22]([CH:33]([C:34]([C:35](=[O:36])[OH:37])([F:38])[F:39])[F:40])[c:23]4[cH:24][cH:25]3)[n:15][o:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]

Participants

6

Reactant 5

HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 447173933-Bromo-2,2,3-trifluoropropanoic acidHCID 593183535-(3-Chloro-4-isopropoxyphenyl)-3-(1H-indol-5-yl)-1,2,4-oxadiazole

Product 1

HCID 249870963-[5-(5-{3-Chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-oxadiazol-3-yl)-1H-indol-1-yl]-2,2,3-trifluoropropanoic acid

Sources & evidence

ORD record
ord-b8ecdadd72fa4791955f4ce5a651949b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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