Reaction

PTDBREC00150

Enzyme

PTDBENZ00017

Reference

PTDBDOC00019

Depth

2

Size

6

Atom

2

ID

PTDBDEP00597

Smiles

cccc(c)O

Smarts

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

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

8

Atom

3

ID

PTDBDEP00598

Smiles

cc1ccc(O)cc1

Smarts

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

Reaction smiles

cc1ccc(O)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1ccc(O)c(CC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

10

Atom

4

ID

PTDBDEP00599

Smiles

ccc1ccc(O)cc1c

Smarts

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

Reaction smiles

ccc1ccc(O)cc1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1cc(CC=C(C)C)c(O)cc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

11

Atom

5

ID

PTDBDEP00600

Smiles

Oc1ccc2ccccc2c1

Smarts

[#6]1:[#6]:[#6]:[#6]2:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:2:[#6]:1

Reaction smiles

Oc1ccc2ccccc2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc2ccccc2cc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6]:[#6]2:[#6]:[#6]:[#6](-[#8]):[#6]:[#6]:2:[#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]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:[#6]:1-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]