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Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
3 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
8 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
6 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
12 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
9 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
6 steps
Depiction
Dead-End Product
C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O
Depiction
Upstream Precursor
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)CCl)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 1
Depiction
Product
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depiction
Upstream Precursor
CC1=C(C=CC(=C1)[N+](CCC#N)(CCOC(=O)CCl)[O-])N=NC2=C(C=C(C=C2)…
Depth 2
Depiction
Product
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depiction
Upstream Precursor
CC1=C(C=CC(=C1)[N+](CCC#N)(CCOC(=O)C)[O-])N=NC2=C(C=C(C=C2)[N…
Depth 1
Depiction
Product
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depiction
Upstream Precursor
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C(Cl)Cl)N=NC2=C(C=C(C=C2)[N+](…
Depth 2
Depiction
Product
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 1
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 3
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 3
Depiction
Downstream Successor
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 2
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 2
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 2
Depiction
Downstream Successor
Glycolaldehyde
C(C=O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 3
Depiction
Downstream Successor
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 2
Depiction
Downstream Successor
4-Nitroaniline
Nc1ccc(cc1)[N+](=O)[O-]
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 3
Depiction
Downstream Successor
4-Aminophenol
c1cc(ccc1O)N
Depiction
Precursor
3-[[2-(Acetyloxy)ethyl][4-[2-(2-bromo-4-nitrophenyl)diazenyl]-3-methylphenyl]amino]propanenitrile
CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Br
Depth 3
Depiction
Downstream Successor
Dichloroacetic Acid
O=C(C(Cl)Cl)O
No Original Precursors

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