Acetic Acid → 6-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-7-fluoro-2H-1,4-benzoxazin-3(4H)-one

HRID 2139991Notes

Reaction equation

HRID 2139991 reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[Cl:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]([N+:24]([O-:25])=[O:26])[c:15]([O:16][CH2:17][C:18](=[O:19])[OH:20])[cH:21][c:22]2[F:23])[n:4][n:5]([CH3:11])[c:6]1[C:7]([F:8])([F:9])[F:10].[Fe:31]>>[Cl:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]3[c:15]([cH:21][c:22]2[F:23])[O:16][CH2:17][C:18](=[O:20])[NH:24]3)[n:4][n:5]([CH3:11])[c:6]1[C:7]([F:8])([F:9])[F:10]

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 23925IronHCID 19436754HCID 19436754, compound

Product 1

HCID 194367686-(4-chloro-1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)-7-fluoro-2H-1,4-benzoxazin-3(4H)-one

Sources & evidence

ORD record
ord-15af7e7224dd4972afdcc3367f1af440
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…