Ethyl Acetate → 6-Bromo-4-(3-chloropropyl)-8-fluoro-4H-benzo[1,4]oxazin-3-one

HRID 113024Notes

Reaction equation

HRID 113024 reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]2[c:6]([cH:12]1)[NH:7][C:8](=[O:11])[CH2:9][O:10]2.[C:14](=[O:15])([O-:16])[O-:17].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[CH3:32][CH2:33][O:34][C:35]([CH3:36])=[O:37].[Cl:20][CH2:21][CH2:22][CH2:23][I:24].[Cs+:18].[Cs+:19]>>[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]2[c:6]([cH:12]1)[N:7]([CH2:23][CH2:22][CH2:21][Cl:20])[C:8](=[O:11])[CH2:9][O:10]2

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 19660Carbonate IonHCID 813631-Chloro-3-iodopropaneHCID 104967Cesium cation2×HCID 468564636-bromo-8-fluoro-2H-benzo[b][1,4]oxazin-3(4H)-one

Product 1

HCID 689111406-Bromo-4-(3-chloropropyl)-8-fluoro-4H-benzo[1,4]oxazin-3-one

Sources & evidence

ORD record
ord-1ede389fa8654d79b46f88975c172c38
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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