Reaction

PTDBREC00226

Enzyme

PTDBENZ00013

Reference

PTDBDOC00024

Depth

2

Size

4

Atom

2

ID

PTDBDEP00901

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

6

Atom

3

ID

PTDBDEP00902

Smiles

ccc(O)cc

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6]:[#6](-[#8]):[#6]:[#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].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

8

Atom

4

ID

PTDBDEP00903

Smiles

cc1cccc(O)c1

Smarts

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

Reaction smiles

cc1cccc(O)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cccc(OCC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6]1:[#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]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

11

Atom

5

ID

PTDBDEP00904

Smiles

cc(=O)c1cc(O)ccc1o

Smarts

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

Reaction smiles

cc(=O)c1cc(O)ccc1o.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(=O)c1cc(OCC=C(C)C)ccc1o.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#8]=[#6](:[#6]1:[#6]:[#6](-[#8]):[#6]:[#6]:[#6]:1:[#8]):[#6].[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](:[#8]):[#6](:[#6](:[#6])=[#8]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]