Acetate → 6-[4-Isopropyl-2-(2-trifluoromethoxy-phenyl)-2H-pyrazol-3-ylmethoxy]-2-methyl-3-nitro-pyridine

HRID 283801Notes

Reaction equation

HRID 283801 reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:20][OH:21])[n:6](-[c:9]2[c:10]([O:15][C:16]([F:17])([F:18])[F:19])[cH:11][cH:12][cH:13][cH:14]2)[n:7][cH:8]1.[Cl:22][c:23]1[cH:24][cH:25][c:26]([N+:30](=[O:31])[O-:32])[c:27]([CH3:29])[n:28]1.[Cs+:37].[Cs+:38].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[Pd+2:46]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([CH2:20][O:21][c:23]2[cH:24][cH:25][c:26]([N+:30](=[O:31])[O-:32])[c:27]([CH3:29])[n:28]2)[n:6](-[c:9]2[c:10]([O:15][C:16]([F:17])([F:18])[F:19])[cH:11][cH:12][cH:13][cH:14]2)[n:7][cH:8]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1140TolueneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 2531236-Chloro-2-methyl-3-nitropyridineHCID 57443261HCID 57443261, compound

Product 1

HCID 574432686-[4-Isopropyl-2-(2-trifluoromethoxy-phenyl)-2H-pyrazol-3-ylmethoxy]-2-methyl-3-nitro-pyridine

Sources & evidence

ORD record
ord-5d2b2b245f7143cdbb2b06f8bd364f94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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