Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP00293

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

Depth

3

Size

9

Atom

3

ID

PTDBDEP00294

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

Depth

4

Size

12

Atom

4

ID

PTDBDEP00295

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]1:[#6]:[#7](-[#6](-[#6])(-[#6])-[#6]=[#6]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2)=[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

16

Atom

8

ID

PTDBDEP00296

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

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