Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP01349

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

8

ID

PTDBDEP01350

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

Depth

4

Size

11

Atom

9

ID

PTDBDEP01351

Smiles

CCc1c[nH]c2ccccc12

Reaction smiles

CCc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2cccc(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

14

Atom

11

ID

PTDBDEP01352

Smiles

CC(C)(N)Cc1c[nH]c2ccccc12

Reaction smiles

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

Reaction smarts

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