Reaction smiles
cccc(c)c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc(CC=C(C)C)c(c)c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#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]):[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
10
Atom
8
ID
PTDBDEP00446
Smiles
Cc1c[nH]c2ccccc12
Reaction smiles
Cc1c[nH]c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cccc2[nH]cc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#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]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
12
Atom
10
ID
PTDBDEP00447
Smiles
CCc1c[nH]c2c(C)cccc12
Reaction smiles
CCc1c[nH]c2c(C)cccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(C)ccc(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6](-[#6]):[#6]:[#6]:[#6]:[#6]:1:2.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6](-[#6]):[#6]:[#6]:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:1:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
15
Atom
12
ID
PTDBDEP00448
Smiles
CCc1cccc2c(C[C@@H](C)N)c[nH]c12
Reaction smiles
CCc1cccc2c(C[C@@H](C)N)c[nH]c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1ccc(CC=C(C)C)c2c(C[C@@H](C)N)c[nH]c12.[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]:[#6]:[#6]:1:2)-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6](-[#6]-[#6]):[#6]:[#6]:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:1:2)-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]