Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

3

ID

PTDBDEP01313

Smiles

cccc(c)O

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

8

Atom

5

ID

PTDBDEP01314

Smiles

Cc1ccc(O)cc1

Reaction smiles

Cc1ccc(O)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc(C)ccc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

11

Atom

5

ID

PTDBDEP01315

Smiles

CC(=O)c1ccc(O)cc1O

Reaction smiles

CC(=O)c1ccc(O)cc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(=O)c1cc(CC=C(C)C)c(O)cc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

12

Atom

9

ID

PTDBDEP01316

Smiles

O=C1CCOc2cc(O)ccc21

Reaction smiles

O=C1CCOc2cc(O)ccc21.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc2c(cc1O)OCCC2=O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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