Reaction

PTDBREC00501

Enzyme

PTDBENZ00029

Reference

PTDBDOC00041

Depth

2

Size

6

Atom

2

ID

PTDBDEP02001

Smiles

cccc(c)c

Smarts

[#6]:[#6](:[#6]:[#6]:[#6]):[#6]

Reaction smiles

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

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

Depth

3

Size

9

Atom

3

ID

PTDBDEP02002

Smiles

ccc1ccccc1c

Smarts

[#6]:[#6]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]

Reaction smiles

ccc1ccccc1c.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)cccc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

9

ID

PTDBDEP02003

Smiles

Oc1ccc2c(O)cccc2c1

Smarts

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

Reaction smiles

Oc1ccc2c(O)cccc2c1.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccc(O)c2ccc(O)cc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

12

Atom

9

ID

PTDBDEP02004

Smiles

Oc1ccc2c(O)cccc2c1

Smarts

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

Reaction smiles

Oc1ccc2c(O)cccc2c1.CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1ccc(O)c2ccc(O)cc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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