Reaction smiles
Cc1cc[nH]c1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1[nH]ccc1C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6]1:[#6]:[#7H]:[#6]:[#6]:1.[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#7H]:[#6]:[#6]:[#6]:1-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
9
Atom
3
ID
PTDBDEP01102
Smiles
cc1[nH]cc(CC)c1c
Reaction smiles
cc1[nH]cc(CC)c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1[nH]c(CC=C(C)C)c(CC)c1c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#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]-[#6]1:[#7H]:[#6](:[#6]):[#6](:[#6]):[#6]:1-[#6]-[#6H].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
13
Atom
4
ID
PTDBDEP01103
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)=CCc1[nH]c2ccccc2c1C[C@@H](C)N.[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]-[#6]1:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]-[#6H](-[#7])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
16
Atom
5
ID
PTDBDEP01104
Smiles
CN[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Reaction smiles
CN[C@@H](Cc1c[nH]c2ccccc12)C(N)=O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CN[C@@H](Cc1c(CC=C(C)C)[nH]c2ccccc12)C(N)=O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:1:2)-[#6](=[#8])-[#7].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6](-[#6])=[#6]-[#6]-[#6]1:[#7H]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]-[#6H](-[#7]-[#6])-[#6](-[#7])=[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]