Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

2

ID

PTDBDEP02557

Smiles

cc(c)O

Reaction smiles

cc(c)O.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(c)OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6](-[#8]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

8

Atom

4

ID

PTDBDEP02558

Smiles

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

Reaction smiles

cc(I)c(O)c(c)I.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(I)c(OCc1ccccc1)c(c)I.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6](-[#53]):[#6](-[#8]):[#6](-[#53]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#53]):[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6](-[#53]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

9

Atom

5

ID

PTDBDEP02559

Smiles

Oc1c(I)cccc1I

Reaction smiles

Oc1c(I)cccc1I.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Ic1cccc(I)c1OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6](-[#53]):[#6](-[#8]):[#6](-[#53]):[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1:[#6]:[#6](-[#53]):[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](-[#53]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

10

Atom

6

ID

PTDBDEP02560

Smiles

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

Reaction smiles

Cc1cc(I)c(O)c(I)c1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Cc1cc(I)c(OCc2ccccc2)c(I)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6](-[#53]):[#6](-[#8]):[#6](-[#53]):[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]1:[#6]:[#6](-[#53]):[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](-[#53]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]