Reaction

PTDBREC00522

Enzyme

PTDBENZ00029

Reference

PTDBDOC00041

Depth

2

Size

7

Atom

2

ID

PTDBDEP02085

Smiles

cc(O)cc(c)c

Smarts

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

Reaction smiles

cc(O)cc(c)c.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(O)c(C/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]-[#6](:[#6](-[#8]):[#6]):[#6](:[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

11

Atom

2

ID

PTDBDEP02086

Smiles

ccc1cc(O)c(O)cc1c

Smarts

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

Reaction smiles

ccc1cc(O)c(O)cc1c.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(O)c(O)cc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

2

ID

PTDBDEP02087

Smiles

Oc1cc2ccccc2cc1O

Smarts

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

Reaction smiles

Oc1cc2ccccc2cc1O.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(O)cc2ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

12

Atom

2

ID

PTDBDEP02088

Smiles

Oc1cc2ccccc2cc1O

Smarts

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

Reaction smiles

Oc1cc2ccccc2cc1O.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)c(O)cc2ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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