Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP00273

Smiles

cc1ccc[nH]1

Reaction smiles

cc1ccc[nH]1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cccc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

9

Atom

3

ID

PTDBDEP00274

Smiles

ccc1[nH]cc(C)c1c

Reaction smiles

ccc1[nH]cc(C)c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cc(C)c(c)c1cc.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

4

ID

PTDBDEP00275

Smiles

C=C(C)c1c[nH]c2ccccc12

Reaction smiles

C=C(C)c1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cc(C(=C)C)c2ccccc21.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

16

Atom

5

ID

PTDBDEP00276

Smiles

CC(=O)C(=C(C)O)c1c[nH]c2ccccc12

Reaction smiles

CC(=O)C(=C(C)O)c1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cc(C(C(C)=O)=C(C)O)c2ccccc21.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#8]-[#6](=[#6](-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2)-[#6](=[#8])-[#6])-[#6].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#7]1:[#6]:[#6](-[#6](=[#6](-[#8])-[#6])-[#6](-[#6])=[#8]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]