Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

2

ID

PTDBDEP02561

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

7

Atom

3

ID

PTDBDEP02562

Smiles

ccc(O)c(c)[N+]

Reaction smiles

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

Reaction smarts

[#6]:[#6]:[#6](-[#8]):[#6](-[#7+]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]:[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6](-[#7+]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

10

Atom

4

ID

PTDBDEP02563

Smiles

O=[N+]([O-])c1ccccc1O

Reaction smiles

O=[N+]([O-])c1ccccc1O.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>O=[N+]([O-])c1ccccc1OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#7+](=[#8])-[#8-]):[#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]:[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](-[#7+](=[#8])-[#8-]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

11

Atom

5

ID

PTDBDEP02564

Smiles

Cc1ccc(O)c([N+](=O)[O-])c1

Reaction smiles

Cc1ccc(O)c([N+](=O)[O-])c1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#7+](=[#8])-[#8-]):[#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]:[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](-[#7+](=[#8])-[#8-]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]