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Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
12 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
8 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
5 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
12 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
8 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
13 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
13 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
6 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Upstream Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Abiotic
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
Pimavanserin N-oxide
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[N+](CC3)(C)[O-]
Abiotic
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
Pimavanserin N-oxide
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[N+](CC3)(C)[O-]
Environmental
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
Pimavanserin N-oxide
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[N+](CC3)(C)[O-]
Environmental
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
CC(C)COC1=CC=C(C=C1)CNC(=O)[N+](CC2=CC=C(C=C2)F)(C3CCN(CC3)C)[O-]
Abiotic
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
CC(C)COC1=CC=C(C=C1)CNC(=O)[N+](CC2=CC=C(C=C2)F)(C3CCN(CC3)C)[O-]
Environmental
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
CC(C)COC1=CC=C(C=C1)CNC(=O)[N+](CC2=CC=C(C=C2)F)(C3CCN(CC3)C)[O-]
Environmental
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Upstream Precursor
CC(C)COC1=CC=C(C=C1)CNC(=O)[N+](CC2=CC=C(C=C2)F)(C3CC[N+](CC3…
Environmental
Depiction
Product
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Environmental
Depiction
Downstream Successor
4-Hydroxybenzyl Alcohol
OCC1=CC=C(C=C1)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Abiotic
Depiction
Downstream Successor
4-Hydroxybenzyl Alcohol
OCC1=CC=C(C=C1)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Abiotic
Depiction
Downstream Successor
Isobutanol
OCC(C)C
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Abiotic
Depiction
Downstream Successor
Isobutyraldehyde
CC(C)C=O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Environmental
Depiction
Downstream Successor
Isobutyraldehyde
CC(C)C=O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Environmental
Depiction
Downstream Successor
Isobutyraldehyde
CC(C)C=O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Abiotic
Depiction
Downstream Successor
4-Fluorobenzaldehyde
O=Cc1ccc(cc1)F
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Environmental
Depiction
Downstream Successor
2-Methylpropane-1,2-diol
OC(C)(C)CO
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Environmental
Depiction
Downstream Successor
4-Fluorobenzylic alcohol
C(C1=CC=C(C=C1)F)O
Depiction
Precursor
4-{[(4-Fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium
CC(C)COC1=CC=C(C=C1)CNC(=O)N(CC2=CC=C(C=C2)F)C3CC[NH+](CC3)C
Abiotic
Depiction
Downstream Successor
4-Fluorobenzylic alcohol
C(C1=CC=C(C=C1)F)O
No Original Precursors

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