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Clauson–Kaas pyrrole synthesis using diverse catalysts: a transition from conventional to greener approach

Dileep Kumar Singh and Rajesh Kumar

Beilstein J. Org. Chem. 2023, 19, 928–955. https://doi.org/10.3762/bjoc.19.71

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Chemical structure C<sub>16</sub>H<sub>16</sub>N<sub>2</sub>

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Extracted from

Scheme 30 Scheme 31

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₆H₁₆N₂
Molecular Weight	236.31 g/mol
Exact Mass	236.1313 Da
InChI	InChI=1S/C16H16N2/c1-2-9-17(8-1)13-15-6-5-7-16(12-15)14-18-10-3-4-11-18/h1-12H,13-14H2
InChIKey	YHBNWBMXEAZNKT-UHFFFAOYSA-N
SMILES	C1=CN(C=C1)CC2=CC=CC(=C2)CN3C=CC=C3
Number of Atoms	34
Number of H-Bond Acceptors	2
Number of H-Bond Donors	0
Atoms in the Largest π-System	6
XLogP	2.6

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