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
5
ID
PTDBDEP01626
Smiles
Cc1cnc2ccccc12
Reaction smiles
Cc1cnc2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cccc2ncc(C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]1:[#6]:[#6](-[#6]):[#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]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6](-[#6]):[#6]:[#7]:2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
12
Atom
7
ID
PTDBDEP01627
Smiles
CCc1cn(C)c2ccccc12
Reaction smiles
CCc1cn(C)c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCc1cn(C)c2cccc(CC=C(C)C)c12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#7]1:[#6]:[#6](-[#6]-[#6H]):[#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]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6](-[#6]-[#6H]):[#6]:[#7]:2-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
14
Atom
9
ID
PTDBDEP01628
Smiles
C[C@H](N)Cc1cn(C)c2ccccc12
Reaction smiles
C[C@H](N)Cc1cn(C)c2ccccc12.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCc1cccc2c1c(C[C@H](C)N)cn2C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#7]1:[#6]:[#6](-[#6]-[#6H](-[#7])-[#6]):[#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]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6](-[#6]-[#6H](-[#7])-[#6]):[#6]:[#7]:2-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]