Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

3

ID

PTDBDEP00637

Smiles

cccc(c)F

Reaction smiles

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

Reaction smarts

[#6]:[#6](-[#9]):[#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])-[#9].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

8

Atom

5

ID

PTDBDEP00638

Smiles

cc1ccc(F)cc1

Reaction smiles

cc1ccc(F)cc1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1ccc(F)c(CC=C(C)C)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6](:[#6]):[#6]:[#6]:[#6]:1-[#9].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

11

Atom

8

ID

PTDBDEP00639

Smiles

Cc1c[nH]c2cc(F)ccc12

Reaction smiles

Cc1c[nH]c2cc(F)ccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc2c(C)c[nH]c2cc1F.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6](-[#9]):[#6]:[#6]:[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:2:[#6]:[#6]:1-[#9].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

12

Atom

9

ID

PTDBDEP00640

Smiles

CCc1c[nH]c2cc(F)ccc12

Reaction smiles

CCc1c[nH]c2cc(F)ccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2cc(F)c(CC=C(C)C)cc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6](-[#9]):[#6]:[#6]:[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]2:[#6](-[#6]-[#6H]):[#6]:[#7H]:[#6]:2:[#6]:[#6]:1-[#9].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]