Depth
2
Size
7
Atom
3
ID
PTDBDEP00601
Smiles
cC(=O)C=C(C)O
Reaction smiles
cC(=O)C=C(C)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cC(=O)C(CC=C(C)C)=C(C)O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6](-[#8])=[#6]-[#6](=[#8])-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6](=[#6](-[#8])-[#6])-[#6](-[#6])=[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
10
Atom
4
ID
PTDBDEP00602
Smiles
cc1cC(=O)C(O)=CC1=O
Reaction smiles
cc1cC(=O)C(O)=CC1=O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cC(=O)C(O)=C(CC=C(C)C)C1=O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#8]=[#6]1-[#6](-[#8])=[#6]-[#6](=[#8])-[#6](:[#6]):[#6]-1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1=[#6](-[#8])-[#6](=[#8])-[#6]:[#6](:[#6])-[#6]-1=[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
13
Atom
4
ID
PTDBDEP00603
Smiles
cc(O)c1c(c)C(=O)C(O)=CC1=O
Reaction smiles
cc(O)c1c(c)C(=O)C(O)=CC1=O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(O)c1c(c)C(=O)C(O)=C(CC=C(C)C)C1=O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#8]=[#6]1-[#6](-[#8])=[#6]-[#6](=[#8])-[#6](:[#6](-[#8]):[#6]):[#6]-1:[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1=[#6](-[#8])-[#6](=[#8])-[#6](:[#6]):[#6](:[#6](:[#6])-[#8])-[#6]-1=[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
14
Atom
4
ID
PTDBDEP00604
Smiles
O=C1C(O)=CC(=O)c2c(O)cccc21
Reaction smiles
O=C1C(O)=CC(=O)c2c(O)cccc21.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC1=C(O)C(=O)c2cccc(O)c2C1=O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#8]=[#6]1-[#6](-[#8])=[#6]-[#6](=[#8])-[#6]2:[#6](-[#8]):[#6]:[#6]:[#6]:[#6]:2-1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1=[#6](-[#8])-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:2-[#6]-1=[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]