Reaction smiles
cccc(c)N.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(CC=C(C)C)c(c)N.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6](:[#6]:[#6]:[#6]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6](:[#6]:[#6]):[#6](:[#6])-[#7].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
9
Atom
3
ID
PTDBDEP01062
Smiles
cNc1ccccc1N
Reaction smiles
cNc1ccccc1N.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cNc1c(N)cccc1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#7]-[#6])-[#7].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
11
Atom
8
ID
PTDBDEP01063
Smiles
cc1cNc2ccccc2N1
Reaction smiles
cc1cNc2ccccc2N1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cNc2cccc(CC=C(C)C)c2N1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]1:[#6]-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7]-1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#7]-[#6](:[#6]-[#7]-2):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
14
Atom
11
ID
PTDBDEP01064
Smiles
cc(C)c1c(c)Nc2ccccc2N1
Reaction smiles
cc(C)c1c(c)Nc2ccccc2N1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(C)c1c(c)Nc2cccc(CC=C(C)C)c2N1.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6](:[#6]):[#6]1:[#6](:[#6])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7]-1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#7]-[#6](:[#6](:[#6])-[#7]-2):[#6](:[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]