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Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
1 step
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
2 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
3 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
11 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
11 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
5 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
11 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
11 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
7 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Upstream Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-[3-(4-oxidomorpholin-4-ium-4-yl)propoxy]quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[N+]3(CCOCC3)[O-])OC4=C(C=C(C=C4)NC…
Depth 1
Depiction
Product
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 1
Depiction
Downstream Successor
Methanol
CO
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
Aniline
Nc1ccccc1
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
4-Aminophenol
c1cc(ccc1O)N
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
Catechol
c1c(c(ccc1)O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 1
Depiction
Downstream Successor
Morpholine
C1COCCN1
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
Reuterin
C(CC=O)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
Morpholin-2-ol
C1COC(CN1)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 1
Depiction
Downstream Successor
4-Fluoro-1,2-benzenediol
c1(cc(ccc1O)F)O
Depiction
Precursor
1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ium-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
COC1=CC2=C(C=CN=C2C=C1OCCC[NH+]3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C…
Depth 2
Depiction
Downstream Successor
Morpholin-4-ol
C1COCCN1O
No Original Precursors

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