Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP01101

Smiles

Cc1cc[nH]c1

Reaction smiles

Cc1cc[nH]c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1[nH]ccc1C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

9

Atom

3

ID

PTDBDEP01102

Smiles

cc1[nH]cc(CC)c1c

Reaction smiles

cc1[nH]cc(CC)c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1[nH]c(CC=C(C)C)c(CC)c1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

13

Atom

4

ID

PTDBDEP01103

Smiles

C[C@@H](N)Cc1c[nH]c2ccccc12

Reaction smiles

C[C@@H](N)Cc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1[nH]c2ccccc2c1C[C@@H](C)N.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

16

Atom

5

ID

PTDBDEP01104

Smiles

CN[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

Reaction smiles

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

Reaction smarts

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