Reaction

Enzyme

Reference


Depth

2

Size

6

Atom

3

ID

PTDBDEP01085

Smiles

cc1ccc[nH]1

Reaction smiles

cc1ccc[nH]1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cccc1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

3

Size

9

Atom

3

ID

PTDBDEP01086

Smiles

ccc1[nH]cc(C)c1c

Reaction smiles

ccc1[nH]cc(C)c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cc(C)c(c)c1cc.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

4

Size

12

Atom

9

ID

PTDBDEP01087

Smiles

CCc1c[nH]c2cc(C)ccc12

Reaction smiles

CCc1c[nH]c2cc(C)ccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cc(CC)c2ccc(C)cc21.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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

Depth

5

Size

14

Atom

11

ID

PTDBDEP01088

Smiles

Cc1ccc2c(C[C@H](C)N)c[nH]c2c1

Reaction smiles

Cc1ccc2c(C[C@H](C)N)c[nH]c2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)n1cc(C[C@H](C)N)c2ccc(C)cc21.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

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