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Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
6 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
1 step
Depiction
Dead-End Product
Trifluoromethane
C(F)(F)F
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
2 steps
Depiction
Dead-End Product
4,4,4-Trifluoro-2-oxobutanoic acid
C(C(CC(F)(F)F)=O)(O)=O
Depiction
Upstream Precursor
Halofantrine N-Oxide
CCCC[N+](CCCC)(CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(…
Depth 1
Depiction
Product
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 1
Depiction
Downstream Successor
Trifluoromethane
C(F)(F)F
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 2
Depiction
Downstream Successor
Butyric Acid
C(CCC)(O)=O
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 1
Depiction
Downstream Successor
Di-n-butyl ammonium
CCCC[NH2+]CCCC
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 3
Depiction
Downstream Successor
Chloropyruvic acid
C(C(O)=O)(CCl)=O
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 3
Depiction
Downstream Successor
Oxaloacetic Acid
C(CC(=O)C(=O)O)(=O)O
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 3
Depiction
Downstream Successor
Nitrosobutane
CCCCN=O
Depiction
Precursor
Dibutyl-[3-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]-3-hydroxypropyl]azanium
CCCC[NH+](CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O
Depth 3
Depiction
Downstream Successor
Crotonic Acid
CC=CC(=O)O
No Original Precursors

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