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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
25 0 2178 Aldrich 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
... Nitrogen Generalisation (Cyanide)
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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... Nitrogen Group conversion to Oxygen Group
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... Ether Formation (Alcohol)
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