Reaction

Enzyme

Reference


Depth

2

Size

7

Atom

3

ID

PTDBDEP00341

Smiles

cc(C)cc(c)c

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

11

Atom

10

ID

PTDBDEP00342

Smiles

Cc1ccc2[nH]cc(C)c2c1

Reaction smiles

Cc1ccc2[nH]cc(C)c2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1c(C)ccc2[nH]cc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

11

ID

PTDBDEP00343

Smiles

CCc1c[nH]c2ccc(C)cc12

Reaction smiles

CCc1c[nH]c2ccc(C)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2ccc(C)c(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

14

Atom

13

ID

PTDBDEP00344

Smiles

Cc1ccc2[nH]cc(C[C@H](C)N)c2c1

Reaction smiles

Cc1ccc2[nH]cc(C[C@H](C)N)c2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1c(C)ccc2[nH]cc(C[C@H](C)N)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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