Ethyl Acetate → 6-tert-Butyl-4-(3-chloropropyl)-4H-benzo[1,4]oxazin-3-one

HRID 310334Notes

Reaction equation

HRID 310334 reaction equation
[C:16](=[O:17])([O-:18])[O-:19].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:15]1)[NH:10][C:11](=[O:14])[CH2:12][O:13]2.[CH3:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Cl:22][CH2:23][CH2:24][CH2:25][I:26].[Cs+:20].[Cs+:21]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([cH:15]1)[N:10]([CH2:25][CH2:24][CH2:23][Cl:22])[C:11](=[O:14])[CH2:12][O:13]2

Participants

7

Reactant 6

HCID 8857Ethyl AcetateHCID 8900HeptaneHCID 19660Carbonate IonHCID 813631-Chloro-3-iodopropaneHCID 104967Cesium cation2×HCID 51299506-tert-Butyl-2H-1,4-benzoxazin-3(4H)-one

Product 1

HCID 689144296-tert-Butyl-4-(3-chloropropyl)-4H-benzo[1,4]oxazin-3-one

Sources & evidence

ORD record
ord-4fdb084c35fd4d8a836b34f81f1f9864
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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