Acetate → 4-(3-chloro-4-fluoro-phenyl)-2-(1-methyl-1H-imidazol-2-yl)-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine

HRID 674060Notes

Reaction equation

HRID 674060 reaction equation
[CH3:32][n:33]1[cH:34][cH:35][n:36][cH:37]1.[Cl:1][c:2]1[n:3][c:4]([N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][cH:25][cH:26][c:27]3[C:28]([F:29])([F:30])[F:31])[CH2:20][CH2:21]2)[cH:5][c:6](-[c:8]2[cH:9][c:10]([Cl:15])[c:11]([F:14])[cH:12][cH:13]2)[n:7]1.[Cu:63][I:64].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[Pd+2:65].[c:38]1([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[c:2]1(-[c:37]2[n:33]([CH3:32])[cH:34][cH:35][n:36]2)[n:3][c:4]([N:16]2[CH2:17][CH2:18][N:19]([c:22]3[n:23][cH:24][cH:25][cH:26][c:27]3[C:28]([F:29])([F:30])[F:31])[CH2:20][CH2:21]2)[cH:5][c:6](-[c:8]2[cH:9][c:10]([Cl:15])[c:11]([F:14])[cH:12][cH:13]2)[n:7]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 13901-MethylimidazoleHCID 11776TriphenylphosphineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 577614902-Chloro-4-(3-chloro-4-fluoro-phenyl)-6-[4-(3-trifluoromethylpyridin-2-yl)-piperazin-1-yl]-pyrimidine

Product 1

HCID 577614534-(3-chloro-4-fluoro-phenyl)-2-(1-methyl-1H-imidazol-2-yl)-6-[4-(3-trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-pyrimidine

Sources & evidence

ORD record
ord-4777e6ab6a3145419e2d14e10ef2679e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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