Table 4 Characterization of carbon-centered radicals by neighboring substituents.

From: Quantum chemical calculations for over 200,000 organic radical species and 40,000 associated closed-shell molecules

Name

SMARTS

Count

Allylic

[#6;X3v3 + 0]-[#6] = [#6 × 3]

16,229

Propargylic

[#6;X3v3 + 0]-[#6]#[#6]

1,887

Benzylic

[#6;X3v3 + 0]-[c]

8,286

α- to π-acceptor

[#6;X3v3 + 0]-[C,N] = ,#[N,O]

18,758

α-to lone-pair

[#6;X3v3 + 0]-[O,N]

55,136

Captodative

[#6;X3v3 + 0](-[O,N])-[C,N]=,#[N,O]

43,86

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