Depth
2
Size
7
Atom
3
ID
PTDBDEP00121
Smiles
cc1ccc(C)[nH]1
Reaction smiles
cc1ccc(C)[nH]1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>cc1ccc(C)n1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]1:[#6]:[#6](:[#7H]:[#6]:1:[#6])-[#6H].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]1:[#6]:[#6](:[#7](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:1:[#6])-[#6H].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
12
Atom
3
ID
PTDBDEP00122
Smiles
ccc1[nH]c([C@H](C)N)c(C)c1c
Reaction smiles
ccc1[nH]c([C@H](C)N)c(C)c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>ccc1c(c)c(C)c([C@H](C)N)n1CC=C(C)C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]:[#6]:[#6]1:[#7H]:[#6](:[#6](:[#6]:1:[#6])-[#6H])-[#6H](-[#6])-[#7].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]:[#6]:[#6]1:[#7](:[#6](:[#6](:[#6]:1:[#6])-[#6H])-[#6H](-[#6])-[#7])-[#6]-[#6]=[#6](-[#6])-[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
18
Atom
7
ID
PTDBDEP00123
Smiles
C=C[C@H]1c2[nH]c3cc(O)ccc3c2[C@H](O)CN1C
Reaction smiles
C=C[C@H]1c2[nH]c3cc(O)ccc3c2[C@H](O)CN1C.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=C[C@H]1c2c(c3ccc(O)cc3n2CC=C(C)C)[C@H](O)CN1C.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6]3:[#6](:[#7H]:[#6]:2:[#6]:1)-[#6H](-[#6]=[#6])-[#7](-[#6])-[#6]-[#6H]-3-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6]3:[#6](:[#7](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:2:[#6]:1)-[#6H](-[#6]=[#6])-[#7](-[#6])-[#6]-[#6H]-3-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
25
Atom
8
ID
PTDBDEP00124
Smiles
COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N(C(C)=O)[C@@](C)(O)[C@H]3O
Reaction smiles
COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N(C(C)=O)[C@@](C)(O)[C@H]3O.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>COc1ccc2c3c(n(CC=C(C)C)c2c1)[C@H](C=C(C)C)N(C(C)=O)[C@@](C)(O)[C@H]3O.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6]3:[#6](:[#7H]:[#6]:2:[#6]:1)-[#6H](-[#6]=[#6](-[#6])-[#6])-[#7](-[#6](=[#8])-[#6H])-[#6](-[#6])(-[#8])-[#6H]-3-[#8].[CH3][CH0]([CH3])=[CH1][CH2:1][O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6]3:[#6](:[#7](-[#6]-[#6]=[#6](-[#6])-[#6]):[#6]:2:[#6]:1)-[#6H](-[#6]=[#6](-[#6])-[#6])-[#7](-[#6](=[#8])-[#6H])-[#6](-[#6])(-[#8])-[#6H]-3-[#8].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]