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Table 2 Elementary homovalent reactions from the KEGG REACTION database [[42]] used for the evaluation of the approach

From: Atom mapping with constraint programming

Reaction Educts Products
R00013 C(=O)=OC(=O)=O, C(C(=O)O)(C=O)O C(C(=O)O)(C=O)O 2×C(=O)(C=O)O C(=O)(C=O)O
R00018 NN, N(CCCCN)CCCCN N(CCCCN)CCCCN 2×C(CCN)CN C(CCN)CN
R00048 CC(O)CC(=O)OC(C)CC(O)=OCC(O)CC(=O)OC(C)CC(O)=O, O O 2×CC(O)CC(O)=O CC(O)CC(O)=O
R00059 N(C(=O)CCCCCN)CCCCCC(=O)ON(C(=O)CCCCCN)CCCCCC(=O)O, O O 2×C(CC(=O)O)CCCN C(CC(=O)O)CCCN
R00207 P(=O)(O)(O)OP(=O)(O)(O)O, O=OO=O, CC(=O)C(=O)O CC(=O)C(=O)O P(=O)(OC(=O)C)(O)OP(=O)(OC(=O)C)(O)O, OOOO, C(=O)=O C(=O)=O
  1. The educt and product molecules are given in SMILES notation [38].