Depth
2
Size
8
Atom
2
ID
PTDBDEP00253
Smiles
cc1c[nH]cc1CC
Reaction smiles
cc1c[nH]cc1CC.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cN[C@@H]2NCC[C@]12CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]1:[#6](:[#6]:[#7H]:[#6]:1)-[#6]-[#6H].[CH3][CH0]([CH3])=[CH1][CH2:1][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
PTDBDEP00254
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-]>>cc(C)c1c(c)N[C@@H]2N[C@H](C)C[C@]12CC=C(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].[CH3][CH0]([CH3])=[CH1][CH2:1][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
PTDBDEP00255
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-]>>CC(C)=CC[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.[CH3][CH0]([CH3])=[CH1][CH2:1][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
PTDBDEP00256
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-]>>CC(C)=CC[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.[CH3][CH0]([CH3])=[CH1][CH2:1][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+]