Reaction

Enzyme

Reference


Depth

2

Size

7

Atom

2

ID

PTDBDEP01601

Smiles

cc(O)cc(c)c

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

11

Atom

9

ID

PTDBDEP01602

Smiles

Cc1c[nH]c2ccc(O)cc12

Reaction smiles

Cc1c[nH]c2ccc(O)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1c(O)ccc2[nH]cc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

10

ID

PTDBDEP01603

Smiles

CCc1c[nH]c2ccc(O)cc12

Reaction smiles

CCc1c[nH]c2ccc(O)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2ccc(O)c(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

14

Atom

11

ID

PTDBDEP01604

Smiles

C[C@H](N)Cc1c[nH]c2ccc(O)cc12

Reaction smiles

C[C@H](N)Cc1c[nH]c2ccc(O)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1c(O)ccc2[nH]cc(C[C@H](C)N)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6](-[#8]):[#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:[#6](-[#8]):[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6]):[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]