Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

2

ID

PTDBDEP02513

Smiles

cc(c)O

Reaction smiles

cc(c)O.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(c)OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6](-[#8]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

8

Atom

4

ID

PTDBDEP02514

Smiles

cc(Br)c(O)c(c)Br

Reaction smiles

cc(Br)c(O)c(c)Br.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>cc(Br)c(OCc1ccccc1)c(c)Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6].[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](-[#35]):[#6](-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6](-[#35]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

9

Atom

5

ID

PTDBDEP02515

Smiles

Oc1c(Br)cccc1Br

Reaction smiles

Oc1c(Br)cccc1Br.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Brc1cccc(Br)c1OCc1ccccc1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](-[#35]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

10

Atom

6

ID

PTDBDEP02516

Smiles

Cc1cc(Br)c(O)c(Br)c1

Reaction smiles

Cc1cc(Br)c(O)c(Br)c1.O=P([O-])([O-])OP(=O)([O-])OCc1ccccc1>>Cc1cc(Br)c(OCc2ccccc2)c(Br)c1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1.[cH1]1[cH1][cH1][cH1][cH1][cH0]1[CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](-[#35]):[#6]:1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]