Methane → Afloqualone

HRID 315266Notes

Reaction equation

HRID 315266 reaction equation
[C:27].[ClH:24].[F:1][CH2:2][c:3]1[n:4][c:5]2[cH:6][cH:7][c:8]([N+:21]([O-:22])=[O:23])[cH:9][c:10]2[c:11](=[O:20])[n:12]1-[c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1.[H:25][H:26].[Pd:28]>>[F:1][CH2:2][c:3]1[n:4][c:5]2[cH:6][cH:7][c:8]([NH2:21])[cH:9][c:10]2[c:11](=[O:20])[n:12]1-[c:13]1[c:14]([CH3:19])[cH:15][cH:16][cH:17][cH:18]1

Participants

6

Reactant 5

HCID 297MethaneHCID 313Hydrochloric AcidHCID 23938PalladiumHCID 637924(3H)-Quinazolinone, 2-(fluoromethyl)-3-(2-methylphenyl)-6-nitro-HCID 178418361HCID 178418361, compound

Product 1

HCID 2040Afloqualone

Sources & evidence

ORD record
ord-3d5fe9ab5e184c3aba99e807a8ad2633
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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