Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

0

ID

PTDBDEP02297

Smiles

cc(c)N

Reaction smiles

cc(c)N.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(c)NCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

6

Atom

0

ID

PTDBDEP02298

Smiles

ccc(N)cc

Reaction smiles

ccc(N)cc.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>ccc(cc)NCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

7

Atom

0

ID

PTDBDEP02299

Smiles

Nc1ccccc1

Reaction smiles

Nc1ccccc1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>c1ccc(CNc2ccccc2)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

8

Atom

0

ID

PTDBDEP02300

Smiles

Cc1ccc(N)cc1

Reaction smiles

Cc1ccc(N)cc1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Cc1ccc(NCc2ccccc2)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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