Reaction smiles
cccc(c)[nH].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1ccc(CC=C(C)C)cc1[nH].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6]:[#6](:[#7H]):[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1:[#6]:[#6](-[#6]-[#6]):[#6](:[#7H]):[#6]:[#6]:1-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
10
Atom
3
ID
PTDBDEP00550
Smiles
Oc1ccc2[nH]ccc2c1
Reaction smiles
Oc1ccc2[nH]ccc2c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CCc1cc(O)c(CC=C(C)C)c2cc[nH]c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#8]-[#6]1:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6]:[#6]:2:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#8]-[#6]1:[#6]:[#6](-[#6]-[#6]=[#6]):[#6]2:[#7H]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
13
Atom
4
ID
PTDBDEP00551
Smiles
COc1ccc2[nH]cc(C)c2c1C
Reaction smiles
COc1ccc2[nH]cc(C)c2c1C.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>COc1cc(CC=C(C)C)c2[nH]cc(C)c2c1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]):[#6]:2:[#6]:1-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]2:[#7H]:[#6]:[#6](-[#6]):[#6]:2:[#6]:1-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
15
Atom
4
ID
PTDBDEP00552
Smiles
CCc1c[nH]c2ccc(OC)c(CC)c12
Reaction smiles
CCc1c[nH]c2ccc(OC)c(CC)c12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1c[nH]c2c(CC=C(C)C)cc(OC)c(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H]):[#6]:2:[#6]:1-[#6]-[#6].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]2:[#7H]:[#6]:[#6](-[#6]-[#6H]):[#6]:2:[#6]:1-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]