Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

0

ID

PTDBDEP00677

Smiles

cc(c)N

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

6

Atom

0

ID

PTDBDEP00678

Smiles

ccc(N)cc

Reaction smiles

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

Reaction smarts

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

Depth

4

Size

7

Atom

0

ID

PTDBDEP00679

Smiles

Nc1ccccc1

Reaction smiles

Nc1ccccc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCNc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

8

Atom

0

ID

PTDBDEP00680

Smiles

Cc1ccc(N)cc1

Reaction smiles

Cc1ccc(N)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCNc1ccc(C)cc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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