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Demo:
Depiction
Reactions
Toxtree
API
SMILES or InChI
Reaction (SMIRKS)
Example reactions
Aliphatic hydroxylation
Aromatic hydroxylation
O-dealkylation
Dioxolane demethylation
N-dealkylation
S-oxidation
[Thioesther cleavage]
N-oxidation
Amine hydroxylation
Aldehyde oxidation
Alcohol oxidation
Dihydropyrrole aromatization
Aromatization of dihydropyridines
Thioesther bond breaking
Desulphurization of phosphor
Epoxidation
Disclaimer
These pages offer minimalistic user interface to
AMBIT
implementation of
OpenTox
REST
services.
Full featured user interface is available via external applications, e.g.
ToxPredict
,
ToxCreate
,
QPRF editor
,
CheS-Mapper
,
Bioclipse-OpenTox
.
Reactant
c1ccccc1
Product
Reaction SMIRKS [#16:1][C;X3:2] >>[#16:1][H].[C;X3:2][O]