Acetate → 4-(3,5-Difluoro-phenyl)-2,6-dimethyl-pyrimidine

HRID 142901Notes

Reaction equation

HRID 142901 reaction equation
[Br:1][c:2]1[n:3][c:4]([CH3:9])[n:5][c:6]([CH3:8])[cH:7]1.[C:54]([O-:55])(=[O:56])[CH3:57].[C:59]([O-:60])(=[O:61])[CH3:62].[C:64]([O:65][CH2:66][CH3:67])(=[O:68])[CH3:69].[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[F-:21].[F:10][c:11]1[cH:12][c:13]([B:18]([OH:19])[OH:20])[cH:14][c:15]([F:17])[cH:16]1.[K+:22].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:63].[Pd+2:58].[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[c:2]1(-[c:13]2[cH:12][c:11]([F:10])[cH:16][c:15]([F:17])[cH:14]2)[n:3][c:4]([CH3:9])[n:5][c:6]([CH3:8])[cH:7]1

Participants

13

Reactant 12

HCID 175Acetate2×HCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2734338(3,5-Difluorophenyl)boronic acidHCID 109652454-Bromo-2,6-dimethylpyrimidine

Product 1

HCID 671644644-(3,5-Difluoro-phenyl)-2,6-dimethyl-pyrimidine

Sources & evidence

ORD record
ord-bff7a51dae4e43eba446d2bd5c7cfc54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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