Reaction

PTDBREC00161

Enzyme

PTDBENZ00008

Reference

PTDBDOC00021

Depth

2

Size

5

Atom

2

ID

PTDBDEP00641

Smiles

ccccc

Smarts

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

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

8

Atom

3

ID

PTDBDEP00642

Smiles

cc1cccc(C)c1

Smarts

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

Reaction smiles

cc1cccc(C)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cc(C)cc(CC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

11

Atom

3

ID

PTDBDEP00643

Smiles

Cc1c[nH]c2c(C)cccc12

Smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:1:2

Reaction smiles

Cc1c[nH]c2c(C)cccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc(C)c2[nH]cc(C)c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:1:2.[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]2:[#7H]:[#6]:[#6](-[#6]):[#6]:2:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

12

Atom

3

ID

PTDBDEP00644

Smiles

CCc1c[nH]c2c(C)cccc12

Smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6](-[#6]-[#6H]):[#6]:[#7H]:[#6]:1:2

Reaction smiles

CCc1c[nH]c2c(C)cccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(C)cc(CC=C(C)C)cc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6](-[#6]-[#6H]):[#6]:[#7H]:[#6]:1:2.[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]2:[#7H]:[#6]:[#6](-[#6]-[#6H]):[#6]:2:[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]