Acetate → 4-(5-{[3,3-Bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)benzonitrile

HRID 679003Notes

Reaction equation

HRID 679003 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:13][N:14]3[C:15](=[O:33])[C:16]([c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)([c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[CH2:17][CH2:18]3)[n:12]2)[cH:6][cH:7]1.[CH3:40][N:41]([CH3:42])[C:43](=[O:44])[CH3:45].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[Pd+2:46]>>[c:2]1([C:40]#[N:41])[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH2:13][N:14]3[C:15](=[O:33])[C:16]([c:19]4[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]4)([c:26]4[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]4)[CH2:17][CH2:18]3)[n:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 673770311-((3-(4-Bromophenyl)-1,2,4-oxadiazol-5-yl)methyl)-3,3-bis(4-fluorophenyl)pyrrolidin-2-one

Product 1

HCID 673776574-(5-{[3,3-Bis(4-fluorophenyl)-2-oxopyrrolidin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)benzonitrile

Sources & evidence

ORD record
ord-3b75586ae1f5477ba0a04379fe27943f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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