Reaction

PTDBREC00613

Enzyme

PTDBENZ00011

Reference

PTDBDOC00044

Depth

2

Size

4

Atom

2

ID

PTDBDEP02449

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

8

Atom

4

ID

PTDBDEP02450

Smiles

cc(I)c(O)c(c)I

Smarts

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

Reaction smiles

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

Reaction smarts

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

Depth

4

Size

9

Atom

5

ID

PTDBDEP02451

Smiles

Oc1c(I)cccc1I

Smarts

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

Reaction smiles

Oc1c(I)cccc1I.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/COc1c(I)cccc1I.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6](-[#53]):[#6](-[#8]):[#6](-[#53]):[#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](-[#53]):[#6]:[#6]:[#6]:[#6]:1-[#53].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

10

Atom

6

ID

PTDBDEP02452

Smiles

Cc1cc(I)c(O)c(I)c1

Smarts

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

Reaction smiles

Cc1cc(I)c(O)c(I)c1.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/COc1c(I)cc(C)cc1I.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6](-[#53]):[#6](-[#8]):[#6](-[#53]):[#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](-[#53]):[#6]:[#6](-[#6]):[#6]:[#6]:1-[#53].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]