Reaction

PTDBREC00427

Enzyme

PTDBENZ00007

Reference

PTDBDOC00038

Depth

2

Size

4

Atom

3

ID

PTDBDEP01705

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

PTDBDEP01706

Smiles

ccc(O)c(c)C

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]-[#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])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

9

Atom

8

ID

PTDBDEP01707

Smiles

CCc1ccccc1O

Smarts

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

Reaction smiles

CCc1ccccc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1ccccc1OCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6H]-[#6]-[#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-[#6]-[#6H].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

11

Atom

9

ID

PTDBDEP01708

Smiles

C[C@@H](N)Cc1ccccc1O

Smarts

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

Reaction smiles

C[C@@H](N)Cc1ccccc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1ccccc1C[C@@H](C)N.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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