Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP00801

Smiles

cccc(c)[nH]

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

9

Atom

4

ID

PTDBDEP00802

Smiles

c1ccc2[nH]ccc2c1

Reaction smiles

c1ccc2[nH]ccc2c1.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=C[C@H](C)c1cccc2cc[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

10

Atom

5

ID

PTDBDEP00803

Smiles

Cc1c[nH]c2ccccc12

Reaction smiles

Cc1c[nH]c2ccccc12.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=C[C@H](C)c1cccc2c(C)c[nH]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.[CH2]=[CH1][CH1:1]([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6H](-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

11

Atom

6

ID

PTDBDEP00804

Smiles

CCc1c[nH]c2ccccc12

Reaction smiles

CCc1c[nH]c2ccccc12.CC=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=C[C@H](C)c1cccc2c(CC)c[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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