Reaction

PTDBREC00582

Enzyme

PTDBENZ00011

Reference

PTDBDOC00044

Depth

2

Size

4

Atom

2

ID

PTDBDEP02325

Smiles

cc(c)O

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6](-[#8]):[#6].[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6](:[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

7

Atom

3

ID

PTDBDEP02326

Smiles

ccc(O)c(c)I

Smarts

[#6]:[#6]:[#6](-[#8]):[#6](-[#53]):[#6]

Reaction smiles

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

Reaction smarts

[#6]:[#6]:[#6](-[#8]):[#6](-[#53]):[#6].[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6](:[#6]:[#6]):[#6](:[#6])-[#53].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

8

Atom

4

ID

PTDBDEP02327

Smiles

Oc1ccccc1I

Smarts

[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#53]):[#6]:1

Reaction smiles

Oc1ccccc1I.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/COc1ccccc1I.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#53]):[#6]:1.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#53].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

9

Atom

5

ID

PTDBDEP02328

Smiles

Cc1ccc(O)c(I)c1

Smarts

[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#53]):[#6]:1

Reaction smiles

Cc1ccc(O)c(I)c1.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C/C=C/COc1ccc(C)cc1I.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#53]):[#6]:1.[CH3][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](-[#6]):[#6]:[#6]:1-[#53].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]