Reaction

PTDBREC00612

Enzyme

PTDBENZ00007

Reference

PTDBDOC00044

Depth

2

Size

4

Atom

2

ID

PTDBDEP02445

Smiles

cc(c)O

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6](-[#8]):[#6].[CH3][CH2][CH1]=[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

5

ID

PTDBDEP02446

Smiles

ccc(O)cc

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6]:[#6](:[#6]:[#6])-[#8].[CH3][CH2][CH1]=[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

6

ID

PTDBDEP02447

Smiles

Cc1cccc(O)c1

Smarts

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

Reaction smiles

Cc1cccc(O)c1.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/COc1cccc(C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:1.[CH3][CH2][CH1]=[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

9

Atom

7

ID

PTDBDEP02448

Smiles

CCc1cccc(O)c1

Smarts

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

Reaction smiles

CCc1cccc(O)c1.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/COc1cccc(CC)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6H]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]):[#6]:1.[CH3][CH2][CH1]=[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]-[#6H]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]