Acetate → Methyl 3-[3-butoxy-4-[3-(methylamino)phenyl]phenyl]prop-2-enoate

HRID 145294Notes

Reaction equation

HRID 145294 reaction equation
[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:13]=[CH:14][C:15](=[O:16])[O:17][CH3:18])[cH:9][cH:10][c:11]1[I:12].[CH3:19][NH:20][c:21]1[cH:22][c:23]([B:27]2[O:28][C:29]([CH3:30])([CH3:31])[C:32]([CH3:33])([CH3:34])[O:35]2)[cH:24][cH:25][cH:26]1.[K+:41].[K+:42].[K+:43].[P:36]([O-:37])([O-:38])([O-:39])=[O:40].[Pd+2:48]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[cH:7][c:8]([CH:13]=[CH:14][C:15](=[O:16])[O:17][CH3:18])[cH:9][cH:10][c:11]1-[c:23]1[cH:22][c:21]([NH:20][CH3:19])[cH:26][cH:25][cH:24]1

Participants

7

Reactant 6

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 1061PhosphateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57976762N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilineHCID 77150197Methyl 3-(3-butoxy-4-iodophenyl)prop-2-enoate

Product 1

HCID 77257639Methyl 3-[3-butoxy-4-[3-(methylamino)phenyl]phenyl]prop-2-enoate

Sources & evidence

ORD record
ord-5cde3902981c4142badaa95f17d821a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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