Reaction

PTDBREC00430

Enzyme

PTDBENZ00007

Reference

PTDBDOC00038

Depth

2

Size

4

Atom

3

ID

PTDBDEP01717

Smiles

cc(c)O

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6](:[#6])-[#8].[CH3][CH0]([CH3])=[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

7

Atom

6

ID

PTDBDEP01718

Smiles

ccc(O)c(c)N

Smarts

[#7]-[#6](:[#6]):[#6](:[#6]:[#6])-[#8]

Reaction smiles

ccc(O)c(c)N.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(OCC=C(C)C)c(c)N.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#7]-[#6](:[#6]):[#6](:[#6]:[#6])-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6](:[#6]:[#6]):[#6](:[#6])-[#7].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

8

Atom

7

ID

PTDBDEP01719

Smiles

Nc1ccccc1O

Smarts

[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]

Reaction smiles

Nc1ccccc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1ccccc1N.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

9

Atom

8

ID

PTDBDEP01720

Smiles

Cc1ccc(O)c(N)c1

Smarts

[#7]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6]:[#6]:1-[#8]

Reaction smiles

Cc1ccc(O)c(N)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1ccc(C)cc1N.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#7]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6]:[#6]:1-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](-[#6]):[#6]:[#6]:1-[#7].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]