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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>23</sub>H<sub>20</sub>N<sub>2</sub>OS

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Extracted from

Scheme 4

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₂₃H₂₀N₂OS
Molecular Weight	372.48 g/mol
Exact Mass	372.1296 Da
InChI	InChI=1S/C23H20N2OS/c1-2-6-17(7-3-1)18-14-19(16-20(15-18)25-10-12-26-13-11-25)23-24-21-8-4-5-9-22(21)27-23/h1-9,14-16H,10-13H2
InChIKey	DFDWNURHEVMIEH-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=NC4=C(C=CC=C4)S3)N5CCOCC5
Number of Atoms	47
Number of H-Bond Acceptors	3
Number of H-Bond Donors	0
Atoms in the Largest π-System	21
XLogP	3.4

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