Acetic Acid → Flumioxazin

HRID 1120448Notes

Reaction equation

HRID 1120448 reaction equation
[C:17]1(=[O:27])[C:18]2=[C:19]([C:20](=[O:21])[O:22]1)[CH2:23][CH2:24][CH2:25][CH2:26]2.[CH3:28][C:29](=[O:30])[OH:31].[NH2:1][c:2]1[c:3]([F:16])[cH:4][c:5]2[c:6]([cH:15]1)[N:7]([CH2:12][C:13]#[CH:14])[C:8](=[O:11])[CH2:9][O:10]2.[OH2:32]>>[N:1]1([c:2]2[c:3]([F:16])[cH:4][c:5]3[c:6]([cH:15]2)[N:7]([CH2:12][C:13]#[CH:14])[C:8](=[O:11])[CH2:9][O:10]3)[C:17](=[O:22])[C:18]2=[C:19]([C:20]1=[O:21])[CH2:23][CH2:24][CH2:25][CH2:26]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 124753,4,5,6-Tetrahydrophthalic anhydrideHCID 111603236-amino-7-fluoro-4-(prop-2-yn-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-3-one

Product 1

HCID 92425Flumioxazin

Sources & evidence

ORD record
ord-18f63b88d6094e648290069bb711498b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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