Acetate → Methyl 3,5-diethoxy-4-(isoxazol-4-yl)benzoate

HRID 292926Notes

Reaction equation

HRID 292926 reaction equation
[Br:1][c:2]1[c:3]([O:15][CH2:16][CH3:17])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[O:12][CH2:13][CH3:14].[C:74]([O-:75])(=[O:76])[CH3:77].[C:79]([O-:80])(=[O:81])[CH3:82].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][n:28][o:29][cH:30]2)[O:31]1.[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[c:55]([O:56][CH3:57])[cH:58][cH:59][cH:60][c:61]2[O:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH2:67][CH2:68]1.[K+:37].[K+:38].[K+:39].[OH2:83].[P:32]([O-:33])([O-:34])([O-:35])=[O:36].[Pd+2:78]>>[c:2]1(-[c:26]2[cH:27][n:28][o:29][cH:30]2)[c:3]([O:15][CH2:16][CH3:17])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][c:11]1[O:12][CH2:13][CH3:14]

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8028TetrahydrofuranHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 164141804-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-oxazoleHCID 57930905Methyl 4-bromo-3,5-diethoxybenzoate

Product 1

HCID 57931014Methyl 3,5-diethoxy-4-(isoxazol-4-yl)benzoate

Sources & evidence

ORD record
ord-b1f21c8d9fa1464898671ba4905749d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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