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C A E S A

Computer Assisted Estimation of Synthetic Accessibility


Intermediate steps for

Used databases: Aldrich Database, Maybridge Database

paxil.mol

Source file: /var/www/html/caesa_work/preprocess/top_drugs/top_drugs.sd

Score Group Number Database Reference Source Database
24 0 72054 Maybridge Database
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Explanations:
Starting material defined relative
Number of incorrectly mapped olefins : 1
Ease of intercovertibility: Hard (12)
The following synthetic steps were used to generate this starting material
... Glycol Formation from Epoxide
... Periodate Oxidation 3
The following complexity features are fully contained within
this starting materials and are not considered to contribute
to the synthetic complexity of the target structure.
... 6 Membered ring
... C Substituent on an aromatic ring, carbon on ring
... Hetero Substituent on an aromatic ring, carbon on ring
... Proximity of Ring Systems may Cause a Problem

Retrosynthetic steps:
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... Conversion of an Olefin to a pair of Stereocentres
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... Ether Formation (Halogen)
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