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C A E S A

Computer Assisted Estimation of Synthetic Accessibility


Intermediate steps for

Used databases: Aldrich Database, Maybridge Database

vasotec.mol

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

Score Group Number Database Reference Source Database
63 2 54620 Maybridge Database
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Explanations:
Starting material defined absolute
STEREO: Mapped 1 Inverted 0 Undefined 1
Ease of intercovertibility: Reasonable (7)
The following synthetic steps were used to generate this starting material
... Oxygen Generalisation (Carboxy)
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.
... Formation of an Acylic Carbon-Carbon bond may cause a problem
... Tertiary acyclic branched point with heteroatom
... 6 Membered ring
... C Substituent on an aromatic ring, carbon on ring
... Secondary Stereocentre
... Acyclic Stereocentre
... Isolated Stereocentre

Retrosynthetic steps:
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... N Alkylation 2
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... Carboxy Oxidation
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