Table 1 |
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Relation between common linkage reactions and most common fragments shown in Figure 2. |
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Linkage Reaction |
Fragment(s) |
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Amide bond formation or Urea formation |
2, 6, 8, 12 (from primary amine) or 16 (from secondary amine), 28 (only if aniline) |
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Sulfonamide formation |
6, 12 (from primary amine) or 16 (from secondary amine) |
|
Ester formation |
2, 6, 8, 10 |
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Reductive amination |
4 (the CH2 group from the aldehyde carbon), 12 (from primary amine) or 16 (from secondary amine) |
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Ertl and Schuffenhauer Journal of Cheminformatics 2009 1:8 doi:10.1186/1758-2946-1-8 |
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