Acetate → N-(4-fluoro-3-nitrophenyl)-3-(pyrimidin-4-yl)pyridin-2-amine

HRID 184501Notes

Reaction equation

HRID 184501 reaction equation
[CH3:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][cH:10][n:11][cH:12][cH:13]1.[F:14][c:15]1[c:16]([N+:22](=[O:23])[O-:24])[cH:17][c:18]([NH2:21])[cH:19][cH:20]1.[K+:25].[K+:26].[O-:27][C:28]([O-:29])=[O:30].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[OH2:38].[Pd+2:39]>>[c:2]1([NH:21][c:18]2[cH:17][c:16]([N+:22](=[O:23])[O-:24])[c:15]([F:14])[cH:20][cH:19]2)[n:3][cH:4][cH:5][cH:6][c:7]1-[c:8]1[n:9][cH:10][n:11][cH:12][cH:13]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 19660Carbonate IonHCID 677684-Fluoro-3-nitroanilineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 161089744-(2-Chloropyridin-3-yl)pyrimidine

Product 1

HCID 66970524N-(4-fluoro-3-nitrophenyl)-3-(pyrimidin-4-yl)pyridin-2-amine

Sources & evidence

ORD record
ord-5f49c71c2459401d9f4ba53d595e610e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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