Ongoing Work:


MTZ example:

MOLECULES: COC1=CC(=O)C(OC(=O)CCC(=O)O)(C#Cc2ccccc2)C(=C1OC)Br.
           Cc1csc(NN=C(C=CC=Cc2ccccc2)C(=O)O)n1.
           CCOC(=O)C(=C(C1=CCCCC1)c2ccccc2)C(C(=O)O)C3=CCCCC3.
           OC(=O)c1cccc(c1)N2C(=O)C3C(C2=O)
           C(=C(C(=C3c4ccccc4)c5ccccc5)c6ccccc6)c7ccccc7.
           OC(=O)c1ccc(C=CC=C)cc1
MOLECULES: CCCC(=O)C(=C)CO.CCOC(=C)C(=O)N.BrC(=C)C(=O)CC=C.
           CCOC=C(CC)C=O.CCOC(=O)C=COCCOC
TRANSFORM: [C:1]=[C:2][C:3]=[C:4].[C:5]=[C:6][C:7]=[O:8]>>
           [C:1]1[C:2]=[C:3][C:4][C:5][C:6]1[C:7]=[O:8]
MOLECULES: NC(=O)c1nsnc1N.Nc1ccc(O)cc1.Nc1nccnc1C#N.
           COc1cncc(N)c1C.Cc1nn[nH]c1N
TRANSFORM: [N!$(NCC=O):1][#1:99].[C:3][C:4](=[O:5])[OH:6]>>
           [C:3][C:4](=[O:5])[N!$(NCC=O):1].[O:6][#1:99]
ZAPPAT:    [OH2]


NOTES:

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