Reaction

PTDBREC00230

Enzyme

PTDBENZ00013

Reference

PTDBDOC00024

Depth

2

Size

4

Atom

3

ID

PTDBDEP00917

Smiles

cc(c)O

Smarts

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

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

Depth

3

Size

7

Atom

6

ID

PTDBDEP00918

Smiles

ccc(O)c(c)C

Smarts

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

Reaction smiles

ccc(O)c(c)C.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(OC/C=C(/C)CC/C=C(\C)CCC=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][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])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

9

Atom

8

ID

PTDBDEP00919

Smiles

cc1ccc(C)c(O)c1

Smarts

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

Reaction smiles

cc1ccc(C)c(O)c1.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1ccc(C)c(OC/C=C(/C)CC/C=C(\C)CCC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

12

Atom

11

ID

PTDBDEP00920

Smiles

cc(=O)c1cc(O)c(C)cc1o

Smarts

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

Reaction smiles

cc(=O)c1cc(O)c(C)cc1o.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(=O)c1cc(OC/C=C(/C)CC/C=C(\C)CCC=C(C)C)c(C)cc1o.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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