Acetate → 3-(4-Hept-1-ynyl-isoxazol-3-yl)-pyridine

HRID 292322Notes

Reaction equation

HRID 292322 reaction equation
[Br:1][c:2]1[c:3](-[c:7]2[cH:8][n:9][cH:10][cH:11][cH:12]2)[n:4][o:5][cH:6]1.[C:13](#[C:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[Si:20]([CH3:21])([CH3:22])[CH3:23].[CH2:30]([N+:31]([CH2:32][CH2:33][CH2:34][CH3:35])([CH2:36][CH2:37][CH2:38][CH3:39])[CH2:40][CH2:41][CH2:42][CH3:43])[CH2:44][CH2:45][CH3:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[F-:29].[K+:28].[O-:24][C:25]([CH3:26])=[O:27].[O-:54][C:55]([CH3:56])=[O:57].[O-:58][C:59]([CH3:60])=[O:61].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[Pd+2:53]>>[c:2]1([C:13]#[C:14][CH2:15][CH2:16][CH2:17][CH2:18][CH3:19])[c:3](-[c:7]2[cH:8][n:9][cH:10][cH:11][cH:12]2)[n:4][o:5][cH:6]1

Participants

10

Reactant 9

HCID 175Acetate3×HCID 813Potassium CationHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 10964922Hept-1-ynyl-trimethyl-silaneHCID 575480413-(4-Bromo-1,2-oxazol-3-yl)pyridine

Product 1

HCID 575480553-(4-Hept-1-ynyl-isoxazol-3-yl)-pyridine

Sources & evidence

ORD record
ord-29e25542b4d445e1a8cc89f9149a8b86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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