Ammonium → 2,2-difluoro-4-methyl-7-amino-4H-1,4-benzoxazin-3-one

HRID 1233350Notes

Reaction equation

HRID 1233350 reaction equation
[CH3:29][CH2:30][OH:31].[Cl-:24].[Cl:26][CH2:27][Cl:28].[F:1][C:2]1([F:23])[O:3][c:4]2[c:5]([cH:10][cH:11][c:12]([N:14]3[CH2:15][CH:16]([C:17]([NH2:18])=[O:19])[O:20][C:21]3=[O:22])[cH:13]2)[N:6]([CH3:9])[C:7]1=[O:8].[Fe:33].[NH4+:25].[OH2:32]>>[F:1][C:2]1([F:23])[O:3][c:4]2[c:5]([cH:10][cH:11][c:12]([NH2:14])[cH:13]2)[N:6]([CH3:9])[C:7]1=[O:8]

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 6344DichloromethaneHCID 23925IronHCID 218776803-(2,2-Difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-2-oxo-1,3-oxazolidine-5-carboxamide

Product 1

HCID 218776332,2-difluoro-4-methyl-7-amino-4H-1,4-benzoxazin-3-one

Sources & evidence

ORD record
ord-d0c2c252bf01460bb7cd4591146a7869
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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