Reaction

PTDBREC00071

Enzyme

PTDBENZ00013

Reference

PTDBDOC00010

Depth

2

Size

6

Atom

2

ID

PTDBDEP00281

Smiles

Cc1cc[nH]c1

Smarts

[#6]-[#6]1:[#6]:[#7H]:[#6]:[#6]:1

Reaction smiles

Cc1cc[nH]c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1[nH]ccc1C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

10

Atom

3

ID

PTDBDEP00282

Smiles

C=C(C)c1c[nH]c(c)c1c

Smarts

[#6]-[#6](-[#6]1:[#6]:[#7H]:[#6](:[#6]):[#6]:1:[#6])=[#6]

Reaction smiles

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

Reaction smarts

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

Depth

4

Size

16

Atom

5

ID

PTDBDEP00283

Smiles

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

Smarts

[#6]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2)=[#6](-[#8])-[#6]

Reaction smiles

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

Reaction smarts

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

Depth

5

Size

20

Atom

7

ID

PTDBDEP00284

Smiles

COC1=C(c2c[nH]c3ccccc23)C(=O)C(O)=CC1=O

Smarts

[#6]1=[#6](-[#8])-[#6](=[#8])-[#6](-[#6]2:[#6]:[#7H]:[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:2:3)=[#6](-[#8]-[#6])-[#6]-1=[#8]

Reaction smiles

COC1=C(c2c[nH]c3ccccc23)C(=O)C(O)=CC1=O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>COC1=C(c2c(CC=C(C)C)[nH]c3ccccc23)C(=O)C(O)=CC1=O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1=[#6](-[#8])-[#6](=[#8])-[#6](-[#6]2:[#6]:[#7H]:[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:2:3)=[#6](-[#8]-[#6])-[#6]-1=[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1=[#6](-[#8])-[#6](=[#8])-[#6](-[#6]2:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#7H]:[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:2:3)=[#6](-[#8]-[#6])-[#6]-1=[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]