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Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
3 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
6 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
2 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
6 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
6 steps
Depiction
Dead-End Product
Nitromethane
C[N+](=O)[O-]
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
6 steps
Depiction
Dead-End Product
C(=O)([N+](=C)[O-])[O-]
Depiction
Upstream Precursor
7-[2-(2-Amino-1,3-thiazol-4-yl)(methoxyimino)acetamido]-3-{[(6-hydroxy-2-methyl-5-oxo-2,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4…
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)S(CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N…
Depth 2
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)S(CC2=C(N3C(C(C3=O)N)SC2)C(=O)O)=O
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4…
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4…
Depth 2
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)S(C2)=O)C(=O)O
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CS(C(=N…
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NO)C4=CSC(=N4)…
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=N)C4=CSC(=N4)N…
Depth 1
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Upstream Precursor
CN1C(=NC(=O)C(=O)N1)S(CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N…
Depth 2
Depiction
Product
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 2
Depiction
Downstream Successor
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 3
Depiction
Downstream Successor
Carbamic Acid
OC(=O)N
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 2
Depiction
Downstream Successor
Oxamic Acid
C(N)(C(=O)O)=O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 3
Depiction
Downstream Successor
Aminomalonic acid
C(C(N)C(=O)O)(O)=O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 3
Depiction
Downstream Successor
2-Amino-3-oxopropionic acid
NC(C=O)C(=O)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 1
Depiction
Downstream Successor
7-Amino-3-formyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C=O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 1
Depiction
Downstream Successor
2-Methyl-3-sulfanyl-1,2-dihydro-1,2,4-triazine-5,6-dione
CN1C(=NC(=O)C(=O)N1)S
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 1
Depiction
Downstream Successor
6-Hydroxy-2-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CN1C(=NC(=O)C(=O)N1)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 1
Depiction
Downstream Successor
7-Amino-8-oxo-3-(sulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)CS)C(=O)O
Depiction
Precursor
7-amino-3-[(2-methyl-5,6-dioxo-1H-1,2,4-triazin-3-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CN1C(=NC(=O)C(=O)N1)SCC2=C(N3C(C(C3=O)N)SC2)C(=O)O
Depth 3
Depiction
Downstream Successor
3-Aminoazetidine-2,4-dione
N1C(C(C1=O)N)=O
No Original Precursors

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