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]1:[#6]:[#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
3
ID
PTDBDEP01670
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]:[#7H]:[#6](:[#6]:[#6]):[#6]:1:[#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
11
Atom
4
ID
PTDBDEP01671
Smiles
CCc1c[nH]c2ccccc12
Reaction smiles
CCc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1cn(CC=C(C)C)c2ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#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]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
13
Atom
5
ID
PTDBDEP01672
Smiles
C[C@@H](N)Cc1c[nH]c2ccccc12
Reaction smiles
C[C@@H](N)Cc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCn1cc(C[C@@H](C)N)c2ccccc21.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2)-[#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]-[#6H](-[#7])-[#6]):[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]