Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

2

ID

PTDBDEP02461

Smiles

cc(c)O

Reaction smiles

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

Reaction smarts

[#6]:[#6](-[#8]):[#6].[CH3][CH2][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]-[#6]=[#6]-[#6]-[#8]-[#6](:[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

7

Atom

3

ID

PTDBDEP02462

Smiles

ccc(O)c(c)[N+]

Reaction smiles

ccc(O)c(c)[N+].CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(OC/C=C/CC)c(c)[N+].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6]:[#6](-[#8]):[#6](-[#7+]):[#6].[CH3][CH2][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]-[#6]=[#6]-[#6]-[#8]-[#6](:[#6]:[#6]):[#6](:[#6])-[#7+].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

10

Atom

4

ID

PTDBDEP02463

Smiles

O=[N+]([O-])c1ccccc1O

Reaction smiles

O=[N+]([O-])c1ccccc1O.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/COc1ccccc1[N+](=O)[O-].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#7+](=[#8])-[#8-]):[#6]:1.[CH3][CH2][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]-[#6]=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7+](=[#8])-[#8-].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

11

Atom

5

ID

PTDBDEP02464

Smiles

Cc1ccc(O)c([N+](=O)[O-])c1

Reaction smiles

Cc1ccc(O)c([N+](=O)[O-])c1.CCC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC/C=C/COc1ccc(C)cc1[N+](=O)[O-].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6](-[#8]):[#6](-[#7+](=[#8])-[#8-]):[#6]:1.[CH3][CH2][CH1]=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]-[#6]=[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](-[#6]):[#6]:[#6]:1-[#7+](=[#8])-[#8-].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]