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Depiction
Upstream Precursor
[4-Cyano-5-methyl-4-(3,4,5-trimethoxyphenyl)hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium
CC(C)C(CCC[NH+](C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)O…
Depth 1
Depiction
Product
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depiction
Upstream Precursor
CC(C)C(CCCN(C)CCC1=C(C(=C(C=C1)OC)O)Cl)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 1
Depiction
Product
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depiction
Upstream Precursor
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1Cl)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 1
Depiction
Product
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depiction
Upstream Precursor
CC(C)C(CCC[N+](C)(CCC1=CC(=C(C=C1)OC)O)[O-])(C#N)C2=CC(=C(C(=…
Depth 1
Depiction
Product
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depiction
Upstream Precursor
CC(C)C(CCC[N+](C)(CCC1=CC(=C(C=C1)OC)OC)[O-])(C#N)C2=CC(=C(C(…
Depth 2
Depiction
Product
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 1
Depiction
Downstream Successor
Methanol
CO
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 2
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 2
Depiction
Downstream Successor
Methylamine
NC
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
Nitrosomethane
CN=O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
3,4-Dihydroxy-2,4-hexadiene-1,6-dioic acid
C(=C(C(=CC(O)=O)O)O)C(=O)O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
Methylhydroxylamine
N(C)O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
Dopac
C1=C(C(=CC(=C1)CC(=O)O)O)O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
CID 440730
C(C=CC(=CC(O)=O)CC(=O)O)(O)=O
Depiction
Precursor
5-[2-(3-Hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)O)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
Depth 3
Depiction
Downstream Successor
4-(2-Azaniumylethyl)-2-hydroxyphenolate
c1c(c(cc(c1)CCN)O)O
No Original Precursors

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No Dead-Ends

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