Reaction

Enzyme

Reference


Depth

2

Size

8

Atom

2

ID

PTDBDEP00253

Smiles

cc1c[nH]cc1CC

Reaction smiles

cc1c[nH]cc1CC.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cN[C@@H]2NCC[C@]12CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6]1:[#6](:[#6]:[#7H]:[#6]:1)-[#6]-[#6H].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]12-[#6]-[#6H]-[#7]-[#6H]-1-[#7]-[#6]:[#6]-2:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

13

Atom

4

ID

PTDBDEP00254

Smiles

cc(C)c1c(C[C@@H](C)N)c[nH]c1c

Reaction smiles

cc(C)c1c(C[C@@H](C)N)c[nH]c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(C)c1c(c)N[C@@H]2N[C@H](C)C[C@]12CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6](:[#6]):[#6]1:[#6](:[#6]:[#7H]:[#6]:1:[#6])-[#6]-[#6H](-[#7])-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]12-[#6]-[#6H](-[#6])-[#7]-[#6H]-1-[#7]-[#6](:[#6]):[#6]-2:[#6](:[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

16

Atom

8

ID

PTDBDEP00255

Smiles

Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12

Reaction smiles

Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6](=[#8])-[#8]):[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]12-[#6]-[#6H](-[#6](=[#8])-[#8])-[#7]-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#6]):[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

16

Atom

8

ID

PTDBDEP00256

Smiles

Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12

Reaction smiles

Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6](=[#8])-[#8]):[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]12-[#6]-[#6H](-[#6](=[#8])-[#8])-[#7]-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#6]):[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]