Reaction smiles
cc1ccc[nH]1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cccn1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]1:[#7H]:[#6]:[#6]:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][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
4
ID
PTDBDEP00226
Smiles
ccc1[nH]cc(C)c1c
Reaction smiles
ccc1[nH]cc(C)c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1c(c)c(C)cn1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]1:[#6](:[#6]:[#7H]:[#6]:1:[#6]:[#6])-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][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
6
ID
PTDBDEP00227
Smiles
CCc1c[nH]c2cccc(C)c12
Reaction smiles
CCc1c[nH]c2cccc(C)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1cn(CC=C(C)C)c2cccc(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]):[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][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
6
ID
PTDBDEP00228
Smiles
Cc1cccc2[nH]cc(C[C@@H](C)N)c12
Reaction smiles
Cc1cccc2[nH]cc(C[C@@H](C)N)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCn1cc(C[C@@H](C)N)c2c(C)cccc21.[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]):[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][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+]