Reaction

PTDBREC00134

Enzyme

PTDBENZ00010

Reference

PTDBDOC00015

Depth

2

Size

6

Atom

2

ID

PTDBDEP00533

Smiles

cccc(c)[nH]

Smarts

[#6]:[#6]:[#6]:[#6](:[#7H]):[#6]

Reaction smiles

cccc(c)[nH].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1ccc(CC=C(C)C)cc1[nH].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6]:[#6]:[#6](:[#7H]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:[#6]:1:[#7H].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

10

Atom

4

ID

PTDBDEP00534

Smiles

Cc1ccc2[nH]ccc2c1

Smarts

[#6]1:[#6](-[#6]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6]:[#6]:1:2

Reaction smiles

Cc1ccc2[nH]ccc2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CCc1cc(C)c(CC=C(C)C)c2cc[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6](-[#6]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6]:[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]2:[#6]:[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

12

Atom

5

ID

PTDBDEP00535

Smiles

Cc1ccc2[nH]cc(C)c2c1C

Smarts

[#6]-[#6]1:[#6](-[#6]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]):[#6]:1:2

Reaction smiles

Cc1ccc2[nH]cc(C)c2c1C.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc(C)c(CC=C(C)C)c2c(C)c[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6](-[#6]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]):[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

14

Atom

6

ID

PTDBDEP00536

Smiles

CCc1c[nH]c2ccc(C)c(CC)c12

Smarts

[#6]-[#6]-[#6]1:[#6](-[#6]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H]):[#6]:1:2

Reaction smiles

CCc1c[nH]c2ccc(C)c(CC)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(CC=C(C)C)cc(C)c(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]-[#6]1:[#6](-[#6]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H]):[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]):[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]2:[#6](-[#6]-[#6H]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]