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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>18</sub>H<sub>13</sub>N

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Extracted from

Scheme 29 Scheme 37

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₈H₁₃N
Molecular Weight	243.30 g/mol
Exact Mass	243.1048 Da
InChI	InChI=1S/C18H13N/c1-2-6-17-14(5-1)7-8-15-13-16(9-10-18(15)17)19-11-3-4-12-19/h1-13H
InChIKey	CFYUOKQBVSXUPG-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)C3=C(C=C2)C=C(C=C3)N4C=CC=C4
Number of Atoms	32
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	19
XLogP	4.3

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