Reaction

PTDBREC00515

Enzyme

PTDBENZ00029

Reference

PTDBDOC00041

Depth

2

Size

4

Atom

0

ID

PTDBDEP02057

Smiles

cc(c)O

Smarts

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

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

Depth

3

Size

7

Atom

0

ID

PTDBDEP02058

Smiles

ccc(O)c(c)c

Smarts

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

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

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

Depth

4

Size

10

Atom

0

ID

PTDBDEP02059

Smiles

ccc1c(O)cccc1c

Smarts

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

Reaction smiles

ccc1c(O)cccc1c.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1c(OC/C=C(\C)CC/C=C(\C)CCC=C(C)C)cccc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

12

Atom

0

ID

PTDBDEP02060

Smiles

Oc1ccc(O)c2ccccc12

Smarts

[#8]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2

Reaction smiles

Oc1ccc(O)c2ccccc12.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/COc1ccc(O)c2ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#8]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[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]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]