Reaction

Enzyme

Reference


Depth

2

Size

7

Atom

3

ID

PTDBDEP00485

Smiles

cc(O)cc(c)c

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

12

Atom

11

ID

PTDBDEP00486

Smiles

COc1ccc2[nH]cc(C)c2c1

Reaction smiles

COc1ccc2[nH]cc(C)c2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>COc1ccc2[nH]cc(C)c2c1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

14

Atom

13

ID

PTDBDEP00487

Smiles

CCc1c[nH]c2c(C)cc(OC)cc12

Reaction smiles

CCc1c[nH]c2c(C)cc(OC)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(C)cc(OC)c(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

17

Atom

16

ID

PTDBDEP00488

Smiles

CCc1cc(OC)cc2c(C[C@@H](C)N)c[nH]c12

Reaction smiles

CCc1cc(OC)cc2c(C[C@@H](C)N)c[nH]c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1cc(OC)c(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]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#6]):[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6]):[#6]:2:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#6]):[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6]):[#6]:2:[#6]:1-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]