Acetate → 2,4-Dichloro-6-(3-chloro-4-fluoro-phenyl)-pyrimidine

HRID 2146584Notes

Reaction equation

HRID 2146584 reaction equation
[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[Cl:10][c:11]1[cH:12][c:13]([B:18]([OH:19])[OH:20])[cH:14][cH:15][c:16]1[F:17].[Cl:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6]([Cl:8])[n:7]1.[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[Pd+2:50].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Cl:1][c:2]1[n:3][c:4]([Cl:9])[cH:5][c:6](-[c:13]2[cH:12][c:11]([Cl:10])[c:16]([F:17])[cH:15][cH:14]2)[n:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776TriphenylphosphineHCID 19660Carbonate IonHCID 773782,4,6-TrichloropyrimidineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27346603-Chloro-4-fluorophenylboronic Acid (contains varying amounts of Anhydride)

Product 1

HCID 577610582,4-Dichloro-6-(3-chloro-4-fluoro-phenyl)-pyrimidine

Sources & evidence

ORD record
ord-7c899e7bce264b5294ee3a2239ffb0da
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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