Potassium Cation → 3-bromo-N-isobutyl-5-isopropoxybenzamide

HRID 678688Notes

Reaction equation

HRID 678688 reaction equation
[Br:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][CH:16]([CH3:17])[CH3:18])[cH:19][c:20]([OH:22])[cH:21]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[CH3:44][C:45]#[N:46].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[I:23][CH:24]([CH3:25])[CH3:26].[K+:31].[K+:32].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:47]>>[Br:8][c:9]1[cH:10][c:11]([C:12](=[O:13])[NH:14][CH2:15][CH:16]([CH3:17])[CH3:18])[cH:19][c:20]([O:22][CH:24]([CH3:25])[CH3:26])[cH:21]1

Participants

10

Reactant 9

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 6342AcetonitrileHCID 6362Isopropyl iodideHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 672115343-bromo-5-hydroxy-N-isobutylbenzamide

Product 1

HCID 672110173-bromo-N-isobutyl-5-isopropoxybenzamide

Sources & evidence

ORD record
ord-6ae4081f85af410f89d4523df6af762b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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