Reaction

Enzyme

Reference


Depth

2

Size

8

Atom

2

ID

PTDBDEP01045

Smiles

cc1c[nH]cc1CC

Reaction smiles

cc1c[nH]cc1CC.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12CCN[C@@H]1Ncc2c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]:[#6]:1:[#6].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H]-[#7]-[#6H]-1-[#7]-[#6]:[#6]-2:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

3

Size

12

Atom

3

ID

PTDBDEP01046

Smiles

ccc1c(C[C@H](C)N)c[nH]c1c

Reaction smiles

ccc1c(C[C@H](C)N)c[nH]c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12C[C@H](C)N(C)[C@@H]1Nc(c)c2cc.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6](:[#6]):[#6]:1:[#6]:[#6])-[#6].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H](-[#6])-[#7](-[#6])-[#6H]-1-[#7]-[#6](:[#6]):[#6]-2:[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

4

Size

16

Atom

4

ID

PTDBDEP01047

Smiles

CN[C@H](Cc1c[nH]c2ccccc12)C(N)=O

Reaction smiles

CN[C@H](Cc1c[nH]c2ccccc12)C(N)=O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12C[C@H](C(N)=O)N(C(c)=O)[C@@H]1Nc1ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#6]-[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2)-[#6](=[#8])-[#7].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H](-[#6](=[#8])-[#7])-[#7](-[#6](-[#6])=[#8])-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Depth

5

Size

19

Atom

5

ID

PTDBDEP01048

Smiles

O=C1ccNC(=O)[C@@H](Cc2c[nH]c3ccccc23)N1

Reaction smiles

O=C1ccNC(=O)[C@@H](Cc2c[nH]c3ccccc23)N1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12C[C@@H]3C(=O)Ncc(c)C(=O)N3[C@@H]1Nc1ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]

Reaction smarts

[#8]=[#6]1-[#7]-[#6H](-[#6]-[#6]2:[#6]:[#7H]:[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:2:3)-[#6](=[#8])-[#7]-[#6]:[#6]-1.[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H]3-[#6](=[#8])-[#7]-[#6]:[#6](:[#6])-[#6](=[#8])-[#7]-3-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]