Reaction

PTDBREC00447

Enzyme

PTDBENZ00014

Reference

PTDBDOC00039

Depth

2

Size

6

Atom

2

ID

PTDBDEP01785

Smiles

cccc(c)c

Smarts

[#6]:[#6](:[#6]:[#6]:[#6]):[#6]

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

9

Atom

3

ID

PTDBDEP01786

Smiles

ccc1ccccc1c

Smarts

[#6]:[#6]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]

Reaction smiles

ccc1ccccc1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1c(CC=C(C)C)cccc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

11

Atom

4

ID

PTDBDEP01787

Smiles

Oc1cccc2ccccc12

Smarts

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

Reaction smiles

Oc1cccc2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1ccc(O)c2ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

12

Atom

5

ID

PTDBDEP01788

Smiles

Oc1ccc2cccc(O)c2c1

Smarts

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

Reaction smiles

Oc1ccc2cccc(O)c2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1ccc(O)c2cc(O)ccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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