Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP00429

Smiles

cccc(c)c

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

10

Atom

3

ID

PTDBDEP00430

Smiles

Cc1c[nH]c2ccccc12

Reaction smiles

Cc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cccc2[nH]cc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

4

ID

PTDBDEP00431

Smiles

CCc1c[nH]c2c(C)cccc12

Reaction smiles

CCc1c[nH]c2c(C)cccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(C)ccc(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

15

Atom

5

ID

PTDBDEP00432

Smiles

CCc1cccc2c(C[C@@H](C)N)c[nH]c12

Reaction smiles

CCc1cccc2c(C[C@@H](C)N)c[nH]c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1ccc(CC=C(C)C)c2c(C[C@@H](C)N)c[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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