Acetate → 4-cyclopropyl-5-fluoro-N-[3-fluoro-5-(1,3-thiazol-5-yl)phenyl]pyrimidin-2-amine

HRID 2163099Notes

Reaction equation

HRID 2163099 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[Cl:14][c:15]1[n:16][cH:17][c:18]([F:24])[c:19]([CH:21]2[CH2:22][CH2:23]2)[n:20]1.[Cs+:29].[Cs+:30].[F:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7](-[c:9]2[cH:10][n:11][cH:12][s:13]2)[cH:8]1.[O-:38][C:39]([CH3:40])=[O:41].[O-:42][C:43]([CH3:44])=[O:45].[Pd+2:37]>>[F:1][c:2]1[cH:3][c:4]([NH:5][c:15]2[n:16][cH:17][c:18]([F:24])[c:19]([CH:21]3[CH2:22][CH2:23]3)[n:20]2)[cH:6][c:7](-[c:9]2[cH:10][n:11][cH:12][s:13]2)[cH:8]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 672565063-Fluoro-5-(1,3-thiazol-5-yl)anilineHCID 772310692-chloro-4-cyclopropyl-5-fluoroPyrimidine

Product 1

HCID 672579164-cyclopropyl-5-fluoro-N-[3-fluoro-5-(1,3-thiazol-5-yl)phenyl]pyrimidin-2-amine

Sources & evidence

ORD record
ord-3b0847eba247466bafb9c890c722d628
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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