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Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
8 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
12 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
10 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
10 steps
Depiction
Dead-End Product
C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O
Depiction
Upstream Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Abiotic
Depiction
Product
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Depiction
Upstream Precursor
CCN(CCOC(=O)CC(=O)CCl)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+]…
Abiotic
Depiction
Product
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Depiction
Upstream Precursor
CCN(CCOC(=O)CC(=O)CCl)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+]…
Abiotic
Depiction
Product
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Depiction
Upstream Precursor
CCN(CCOC(=O)CC(=O)C(Cl)Cl)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)…
Abiotic
Depiction
Product
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
PriorBiotransformation
Depiction
Downstream Successor
Acetaldehyde
C(C)=O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
PriorBiotransformation
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Abiotic
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
PriorBiotransformation
Depiction
Downstream Successor
Glycolaldehyde
C(C=O)O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
PriorBiotransformation
Depiction
Downstream Successor
Acetone
CC(C)=O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
Abiotic
Depiction
Downstream Successor
Acetoacetic Acid
C(=O)(CC(C)=O)O
Depiction
Precursor
2-(Ethyl(4-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenyl)amino)ethyl acetoacetate
CCN(CCOC(=O)CC(=O)C)C1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=NS2)[N+](=O)[O-]
PriorBiotransformation
Depiction
Downstream Successor
Acetoacetic Acid
C(=O)(CC(C)=O)O
No Original Precursors

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