Acetate → 3,3,3-Trifluoro-2-oxopropanal 1-(4-chloro-2-fluoro-5-isopropoxyphenylhydrazone)

HRID 186807

Reaction equation

[Br:6][CH:7]([C:8](=[O:9])[C:10]([F:11])([F:12])[F:13])[Br:14].[CH3:2][C:3](=[O:4])[O-:5].[CH3:30][CH2:31][O:32][CH2:33][CH3:34].[F:15][c:16]1[c:17]([NH:27][NH2:28])[cH:18][c:19]([O:23][CH:24]([CH3:25])[CH3:26])[c:20]([Cl:22])[cH:21]1.[Na+:1].[OH2:29]>>[CH:7]([C:8](=[O:9])[C:10]([F:11])([F:12])[F:13])=[N:28][NH:27][c:17]1[c:16]([F:15])[cH:21][c:20]([Cl:22])[c:19]([O:23][CH:24]([CH3:25])[CH3:26])[cH:18]1

Participants

Reactant 6

HCID 175Acetate

HCID 923Sodium ion

HCID 962Water

HCID 3283Diethyl Ether

HCID 185080(4-Chloro-2-fluoro-5-propan-2-yloxyphenyl)hydrazine

HCID 5505231,1-Dibromo-3,3,3-trifluoroacetone

Product 1

HCID 691414303,3,3-Trifluoro-2-oxopropanal 1-(4-chloro-2-fluoro-5-isopropoxyphenylhydrazone)

Sources & evidence

ORD record: ord-d4e9c6a5965c428d96592ec653e30624
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Linked notes

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