Reaction

Enzyme

Reference


Depth

2

Size

4

Atom

2

ID

PTDBDEP01013

Smiles

cc(c)O

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

8

Atom

4

ID

PTDBDEP01014

Smiles

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

Reaction smiles

cc(Br)c(O)c(c)Br.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(Br)c(OCC=C(C)C)c(c)Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6](:[#6](-[#35]):[#6]):[#6](:[#6])-[#35].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

9

Atom

5

ID

PTDBDEP01015

Smiles

Oc1c(Br)cccc1Br

Reaction smiles

Oc1c(Br)cccc1Br.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1c(Br)cccc1Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6](-[#35]):[#6]:[#6]:[#6]:[#6]:1-[#35].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

10

Atom

6

ID

PTDBDEP01016

Smiles

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

Reaction smiles

Cc1cc(Br)c(O)c(Br)c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCOc1c(Br)cc(C)cc1Br.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#6](-[#35]):[#6](-[#8]):[#6](-[#35]):[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#8]-[#6]1:[#6](-[#35]):[#6]:[#6](-[#6]):[#6]:[#6]:1-[#35].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]