Acetate → 5-(4-Chlorophenyl)-N-cyclopentyl-4-cyclopropylisoxazole-3-carboxamide

HRID 1205022Notes

Reaction equation

HRID 1205022 reaction equation
[Br:1][c:2]1[c:3]([C:14](=[O:15])[NH:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[n:4][o:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]1.[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[CH:22]1([B:25]([OH:26])[OH:27])[CH2:23][CH2:24]1.[CH:28]1([P:29]([CH:30]2[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2)[CH:36]2[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]2)[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]1.[K+:52].[K+:53].[K+:54].[O-:63][C:64]([CH3:65])=[O:66].[O-:67][C:68]([CH3:69])=[O:70].[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[Pd+2:62]>>[c:2]1([CH:22]2[CH2:23][CH2:24]2)[c:3]([C:14](=[O:15])[NH:16][CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21]2)[n:4][o:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([Cl:13])[cH:11][cH:12]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 1140TolueneHCID 75806TricyclohexylphosphineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2760897Cyclopropylboronic acidHCID 533260944-Bromo-5-(4-chlorophenyl)-N-cyclopentylisoxazole-3-carboxamide

Product 1

HCID 671211705-(4-Chlorophenyl)-N-cyclopentyl-4-cyclopropylisoxazole-3-carboxamide

Sources & evidence

ORD record
ord-716ec231d09f42c2b5770fbafa5f38de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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