Reaction

PTDBREC00651

Enzyme

PTDBENZ00007

Reference

PTDBDOC00044

Depth

2

Size

4

Atom

2

ID

PTDBDEP02601

Smiles

cc(c)O

Smarts

[#6]:[#6](-[#8]):[#6]

Reaction smiles

cc(c)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(c)OCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6](-[#8]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6](:[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

7

Atom

3

ID

PTDBDEP02602

Smiles

ccc(O)c(c)O

Smarts

[#6]:[#6]:[#6](-[#8]):[#6](-[#8]):[#6]

Reaction smiles

ccc(O)c(c)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(OCC=C(C)C)c(c)O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6]:[#6](-[#8]):[#6](-[#8]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6](:[#6]:[#6]):[#6](:[#6])-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

8

Atom

4

ID

PTDBDEP02603

Smiles

Oc1ccccc1O

Smarts

[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#8]):[#6]:1

Reaction smiles

Oc1ccccc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1ccccc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#8]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

9

Atom

5

ID

PTDBDEP02604

Smiles

Cc1ccc(O)c(O)c1

Smarts

[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#8]):[#6]:1

Reaction smiles

Cc1ccc(O)c(O)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1ccc(C)cc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#8]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](-[#6]):[#6]:[#6]:1-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]