Depth
2
Size
8
Atom
2
ID
PTDBDEP00245
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
[#6]:[#6]1:[#6](:[#6]:[#7H]:[#6]:1)-[#6]-[#6H].[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
13
Atom
4
ID
PTDBDEP00246
Smiles
cc(C)c1c(C[C@@H](C)N)c[nH]c1c
Reaction smiles
cc(C)c1c(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@H]1Nc(c)c2c(c)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6](:[#6]):[#6]1:[#6](:[#6]:[#7H]:[#6]:1:[#6])-[#6]-[#6H](-[#7])-[#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]-[#6H]-1-[#7]-[#6](:[#6]):[#6]-2:[#6](:[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
16
Atom
8
ID
PTDBDEP00247
Smiles
Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12
Reaction smiles
Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6](=[#8])-[#8]):[#6]:1:2.[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])-[#8])-[#7]-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#6]):[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
16
Atom
8
ID
PTDBDEP00248
Smiles
Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12
Reaction smiles
Cc1cccc2[nH]cc(C[C@H](N)C(=O)O)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@]12C[C@@H](C(=O)O)N[C@H]1Nc1cccc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6](=[#8])-[#8]):[#6]:1:2.[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])-[#8])-[#7]-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#6]):[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]