Reaction

PTDBREC00178

Enzyme

PTDBENZ00008

Reference

PTDBDOC00023

Depth

2

Size

5

Atom

2

ID

PTDBDEP00709

Smiles

ccccc

Smarts

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

Reaction smiles

ccccc.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(cc)C/C=C/CC.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

7

Atom

3

ID

PTDBDEP00710

Smiles

[nH]c1ccccc1

Smarts

[#7H]:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1

Reaction smiles

[nH]c1ccccc1.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/Cc1cccc([nH])c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

9

Atom

5

ID

PTDBDEP00711

Smiles

c1ccc2[nH]ccc2c1

Smarts

[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2

Reaction smiles

c1ccc2[nH]ccc2c1.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/Cc1ccc2cc[nH]c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

10

Atom

6

ID

PTDBDEP00712

Smiles

Cc1c[nH]c2ccccc12

Smarts

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

Reaction smiles

Cc1c[nH]c2ccccc12.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/Cc1ccc2c(C)c[nH]c2c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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