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Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
13 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
19 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
19 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
6 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Upstream Precursor
C1=CC(=CC=C1C(C(CO)NC(=O)CCl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 1
Depiction
Product
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depiction
Upstream Precursor
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 1
Depiction
Product
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depiction
Upstream Precursor
C1=CC(=CC=C1C(C(CO)NC(=O)C)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 2
Depiction
Product
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 2
Depiction
Downstream Successor
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 2
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 3
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 1
Depiction
Downstream Successor
Dichloroacetic Acid
O=C(C(Cl)Cl)O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 1
Depiction
Downstream Successor
Succinic Acid
C(CC(O)=O)C(O)=O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 3
Depiction
Downstream Successor
Dichloroacetamide
C(=N)(C(Cl)Cl)O
Depiction
Precursor
4-[2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-1-(4-nitrophenyl)propoxy]-4-oxobutanoic acid
C1=CC(=CC=C1C(C(CO)NC(=O)C(Cl)Cl)OC(=O)CCC(=O)O)[N+](=O)[O-]
Depth 2
Depiction
Downstream Successor
Trichloroacetic Acid
OC(C(Cl)(Cl)Cl)=O
No Original Precursors

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