Reaction

PTDBREC00036

Enzyme

PTDBENZ00005

Reference

PTDBDOC00005

Depth

2

Size

4

Atom

3

ID

PTDBDEP00141

Smiles

cc(c)O

Smarts

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

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

8

Atom

7

ID

PTDBDEP00142

Smiles

cc(C)c(O)c(c)C

Smarts

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

Reaction smiles

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

Reaction smarts

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

Depth

4

Size

10

Atom

9

ID

PTDBDEP00143

Smiles

cc1ccc(C)c(O)c1C

Smarts

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

Reaction smiles

cc1ccc(C)c(O)c1C.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1ccc(C)c(OCC=C(C)C)c1C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

13

Atom

12

ID

PTDBDEP00144

Smiles

cc(=O)c1c(C)c(O)c(C)cc1o

Smarts

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

Reaction smiles

cc(=O)c1c(C)c(O)c(C)cc1o.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(=O)c1c(C)c(OCC=C(C)C)c(C)cc1o.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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