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Heterocycle-guided synthesis of m-hetarylanilines via three-component benzannulation

Andrey R. Galeev, Maksim V. Dmitriev, Alexander S. Novikov and Andrey N. Maslivets

Beilstein J. Org. Chem. 2024, 20, 2208–2216. https://doi.org/10.3762/bjoc.20.188

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Chemical structure C<sub>18</sub>H<sub>13</sub>NO<sub>3</sub>

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Extracted from

Scheme 5

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₃NO₃
Molecular Weight	291.30 g/mol
Exact Mass	291.0895 Da
InChI	InChI=1S/C18H13NO3/c20-16(13-7-3-1-4-8-13)12-17(21)15-11-18(22-19-15)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey	VGVMUBHROVDLEB-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C(=O)CC(=O)C2=NOC(=C2)C3=CC=CC=C3
Number of Atoms	35
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	13
XLogP	2.9

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