Acetate → 2-Chloro-5-(2,2-difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)pyrimidine

HRID 2160784Notes

Reaction equation

HRID 2160784 reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]([Cl:8])[n:6][cH:7]1.[CH3:41][OH:42].[F-:30].[F:9][C:10]1([F:29])[O:11][c:12]2[c:13]([cH:15][c:16]([CH3:28])[c:17]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:18]2)[O:14]1.[K+:31].[O-:33][C:34]([CH3:35])=[O:36].[O-:37][C:38]([CH3:39])=[O:40].[Pd+2:32]>>[c:2]1(-[c:17]2[c:16]([CH3:28])[cH:15][c:13]3[c:12]([cH:18]2)[O:11][C:10]([F:9])([F:29])[O:14]3)[cH:3][n:4][c:5]([Cl:8])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium CationHCID 887MethanolHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 6066655-Bromo-2-chloropyrimidineHCID 584872352-(2,2-Difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Product 1

HCID 866748032-Chloro-5-(2,2-difluoro-6-methylbenzo[d][1,3]dioxol-5-yl)pyrimidine

Sources & evidence

ORD record
ord-ea5aaefee1dd432b9d0d5db831532f2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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