Reaction

PTDBREC00228

Enzyme

PTDBENZ00013

Reference

PTDBDOC00024

Depth

2

Size

4

Atom

2

ID

PTDBDEP00909

Smiles

cc(c)O

Smarts

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

Reaction smiles

cc(c)O.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(c)OC/C=C(/C)CC/C=C(\C)CCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

6

Atom

3

ID

PTDBDEP00910

Smiles

ccc(O)cc

Smarts

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

Reaction smiles

ccc(O)cc.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(cc)OC/C=C(/C)CC/C=C(\C)CCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

9

Atom

5

ID

PTDBDEP00911

Smiles

oc1cc(O)cc(O)c1

Smarts

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

Reaction smiles

oc1cc(O)cc(O)c1.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C\COc1cc(O)cc(o)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

11

Atom

6

ID

PTDBDEP00912

Smiles

coc1cc(O)cc(O)c1c

Smarts

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

Reaction smiles

coc1cc(O)cc(O)c1c.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>coc1cc(OC/C=C(/C)CC/C=C(\C)CCC=C(C)C)cc(O)c1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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