Reaction

Enzyme

Reference


Depth

2

Size

7

Atom

3

ID

PTDBDEP01225

Smiles

cc(C)cc(c)O

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

9

Atom

4

ID

PTDBDEP01226

Smiles

Cc1ccc(C)c(O)c1

Reaction smiles

Cc1ccc(C)c(O)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1c(C)ccc(C)c1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

6

ID

PTDBDEP01227

Smiles

CC(=O)c1c(O)cc(C)cc1O

Reaction smiles

CC(=O)c1c(O)cc(C)cc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(=O)c1c(O)cc(C)c(CC=C(C)C)c1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

13

Atom

7

ID

PTDBDEP01228

Smiles

Cc1cc(O)c2c(c1)OCCC2=O

Reaction smiles

Cc1cc(O)c2c(c1)OCCC2=O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1c(C)cc2c(c1O)C(=O)CCO2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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