Depth
2
Size
8
Atom
2
ID
PTDBDEP01645
Smiles
cc1c[nH]cc1CC
Reaction smiles
cc1c[nH]cc1CC.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12CCN[C@@H]1Ncc2c.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#6H]-[#6]-[#6]1:[#6]:[#7H]:[#6]:[#6]:1:[#6].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H]-[#7]-[#6H]-1-[#7]-[#6]:[#6]-2:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
3
Size
12
Atom
3
ID
PTDBDEP01646
Smiles
ccc1c(C[C@@H](C)N)c[nH]c1c
Reaction smiles
ccc1c(C[C@@H](C)N)c[nH]c1c.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12C[C@@H](C)N(C)[C@@H]1Nc(c)c2cc.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#7]-[#6H](-[#6]-[#6]1:[#6]:[#7H]:[#6](:[#6]):[#6]:1:[#6]:[#6])-[#6].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H](-[#6])-[#7](-[#6])-[#6H]-1-[#7]-[#6](:[#6]):[#6]-2:[#6]:[#6].[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
4
Size
16
Atom
4
ID
PTDBDEP01647
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-]>>C=CC(C)(C)[C@@]12C[C@H]3C(=O)NCC(=O)N3[C@@H]1Nc1ccccc12.[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].[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H]3-[#6](=[#8])-[#7]-[#6H]-[#6](=[#8])-[#7]-3-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Depth
5
Size
18
Atom
5
ID
PTDBDEP01648
Smiles
O=C1CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
Reaction smiles
O=C1CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>C=CC(C)(C)[C@@]12C[C@H]3C(=O)N[C@@H](C)C(=O)N3[C@@H]1Nc1ccccc12.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]
Reaction smarts
[#8]=[#6]1-[#7]-[#6H](-[#6]-[#6]2:[#6]:[#7H]:[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:2:3)-[#6](=[#8])-[#7]-[#6H]-1.[CH2]=[CH1][CH0:1]([CH3])([CH3])[O:2]P(=O)([O-])OP(=O)([O-])([O-])>>[#6]=[#6]-[#6](-[#6])(-[#6])-[#6]12-[#6]-[#6H]3-[#6](=[#8])-[#7]-[#6H](-[#6])-[#6](=[#8])-[#7]-3-[#6H]-1-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-2.[O-]P(=O)([O-])OP(=O)([O-])([O-]).[H+]