Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

2

ID

PTDBDEP01557

Smiles

cccc(c)[nH]

Reaction smiles

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

Reaction smarts

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

Depth

3

Size

10

Atom

4

ID

PTDBDEP01558

Smiles

Brc1ccc2[nH]ccc2c1

Reaction smiles

Brc1ccc2[nH]ccc2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc(Br)cc2cc[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6](-[#35]):[#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]:[#6](-[#35]):[#6]:[#6]2:[#6]:[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

11

Atom

5

ID

PTDBDEP01559

Smiles

Cc1c[nH]c2ccc(Br)cc12

Reaction smiles

Cc1c[nH]c2ccc(Br)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cc(Br)cc2c(C)c[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6](-[#35]):[#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]:[#6](-[#35]):[#6]:[#6]2:[#6](-[#6]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

12

Atom

6

ID

PTDBDEP01560

Smiles

CCc1c[nH]c2ccc(Br)cc12

Reaction smiles

CCc1c[nH]c2ccc(Br)cc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(CC=C(C)C)cc(Br)cc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6](-[#35]):[#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]:[#6](-[#35]):[#6]:[#6]2:[#6](-[#6]-[#6H]):[#6]:[#7H]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]