Reaction smiles
C[C@H](c)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C[C@H](c)OCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#6H](-[#6])-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#6H](-[#6])-[#8]-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
9
Atom
8
ID
PTDBDEP00126
Smiles
cc(c)[C@H](O)[C@@](C)(N)O
Reaction smiles
cc(c)[C@H](O)[C@@](C)(N)O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc(c)[C@H](OCC=C(C)C)[C@@](C)(N)O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6](:[#6])-[#6H](-[#6](-[#6])(-[#8])-[#7])-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6](:[#6])-[#6H](-[#6](-[#6])(-[#8])-[#7])-[#8]-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
16
Atom
15
ID
PTDBDEP00127
Smiles
cc1cnc2c1[C@H](O)[C@@](O)(C(N)=O)N(C)C2
Reaction smiles
cc1cnc2c1[C@H](O)[C@@](O)(C(N)=O)N(C)C2.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1cnc2c1[C@H](OCC=C(C)C)[C@@](O)(C(N)=O)N(C)C2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]1:[#6]2:[#6](:[#7]:[#6]:1)-[#6H]-[#7](-[#6])-[#6](-[#6](-[#7])=[#8])(-[#8])-[#6H]-2-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]1:[#6]2:[#6](:[#7]:[#6]:1)-[#6H]-[#7](-[#6])-[#6](-[#6](-[#7])=[#8])(-[#8])-[#6H]-2-[#8]-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
23
Atom
22
ID
PTDBDEP00128
Smiles
ccc1c2c(n(C)c1c)[C@H](C)N1C(=O)CN(C)C(=O)[C@]1(O)[C@H]2O
Reaction smiles
ccc1c2c(n(C)c1c)[C@H](C)N1C(=O)CN(C)C(=O)[C@]1(O)[C@H]2O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1c2c(n(C)c1c)[C@H](C)N1C(=O)CN(C)C(=O)[C@]1(O)[C@H]2OCC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6]1:[#6]2:[#6](:[#7](-[#6]):[#6]:1:[#6])-[#6H](-[#6])-[#7]1-[#6](=[#8])-[#6H]-[#7](-[#6])-[#6](=[#8])-[#6]-1(-[#8])-[#6H]-2-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]:[#6]1:[#6]2:[#6](:[#7](-[#6]):[#6]:1:[#6])-[#6H](-[#6])-[#7]1-[#6](=[#8])-[#6H]-[#7](-[#6])-[#6](=[#8])-[#6]-1(-[#8])-[#6H]-2-[#8]-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]