Reaction

Enzyme

Reference


Depth

2

Size

5

Atom

2

ID

PTDBDEP00161

Smiles

ccccc

Reaction smiles

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

Reaction smarts

[#6]:[#6]:[#6]:[#6]:[#6].[CH3][CH0]([CH3])=[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

PTDBDEP00162

Smiles

Cc1ccccc1

Reaction smiles

Cc1ccccc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cccc(C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

9

Atom

4

ID

PTDBDEP00163

Smiles

CCc1ccccc1O

Reaction smiles

CCc1ccccc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1cc(CC=C(C)C)ccc1O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

11

Atom

5

ID

PTDBDEP00164

Smiles

C[C@@H](N)Cc1ccccc1O

Reaction smiles

C[C@@H](N)Cc1ccccc1O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1ccc(O)c(C[C@@H](C)N)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#7]-[#6H](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8])-[#6].[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](-[#8]):[#6](-[#6]-[#6H](-[#7])-[#6]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]