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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>17</sub>H<sub>13</sub>N

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Extracted from

Scheme 14 Scheme 17

Chemical Information

Calculated using the Chemistry Development Kit 2.12

Property Name	Property Value
Molecular Formula	C₁₇H₁₃N
Molecular Weight	231.29 g/mol
Exact Mass	231.1048 Da
InChI	InChI=1S/C17H13N/c1-2-6-16-13(5-1)11-14-12-15(7-8-17(14)16)18-9-3-4-10-18/h1-10,12H,11H2
InChIKey	WKZRXZHPAFCKFV-UHFFFAOYSA-N
SMILES	C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N4C=CC=C4
Number of Atoms	31
Number of H-Bond Acceptors	1
Number of H-Bond Donors	0
Atoms in the Largest π-System	17
XLogP	3.7

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