Acetic Acid → 6-Acetyl-2H-1,4-benzoxazin-3(4H)-one

HRID 2124231Notes

Reaction equation

HRID 2124231 reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([N+:17]([O-:18])=[O:19])[c:7]([O:8][CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:15][cH:16]1.[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]2[c:31]([cH:32]1)[NH:30][C:28](=[O:29])[CH2:27][O:26]2.[CH3:33][C:34](=[O:35])[OH:36].[Fe:37]>>[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]2[c:7]([cH:15][cH:16]1)[O:8][CH2:9][C:10](=[O:11])[NH:17]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 23925IronHCID 132049526-methoxy-3,4-dihydro-2H-1,4-benzoxazin-3-oneHCID 86642623Ethyl (4-acetyl-2-nitrophenoxy)acetate

Product 1

HCID 36419566-Acetyl-2H-1,4-benzoxazin-3(4H)-one

Sources & evidence

ORD record
ord-881ee3959a2b43e7b819a5e5f330e04e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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