Reaction

PTDBREC00310

Enzyme

PTDBENZ00010

Reference

PTDBDOC00033

Depth

2

Size

4

Atom

2

ID

PTDBDEP01237

Smiles

cc(c)O

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6](-[#8]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#8]-[#6]-[#6]=[#6](-[#6])-[#6]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

6

Atom

3

ID

PTDBDEP01238

Smiles

ccc(O)cc

Smarts

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

Reaction smiles

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

Reaction smarts

[#6]:[#6]:[#6](-[#8]):[#6]:[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]:[#6](-[#8]-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

9

Atom

4

ID

PTDBDEP01239

Smiles

Oc1cc(O)cc(O)c1

Smarts

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

Reaction smiles

Oc1cc(O)cc(O)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1cc(O)cc(O)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#8]-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](-[#8]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#8]-[#6]1:[#6]:[#6](-[#8]-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:[#6](-[#8]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

11

Atom

5

ID

PTDBDEP01240

Smiles

COc1cc(O)cc(O)c1C

Smarts

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

Reaction smiles

COc1cc(O)cc(O)c1C.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>COc1cc(OCC=C(C)C)cc(O)c1C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6H]-[#8]-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](-[#8]):[#6]:1-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6H]-[#8]-[#6]1:[#6]:[#6](-[#8]-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:[#6](-[#8]):[#6]:1-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]