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Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
8 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
5 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
8 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
8 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
7 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
13 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
13 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
9 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Upstream Precursor
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O)Cl
Depth 1
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)S(C1)=O)C(=O)O
Depth 1
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)S(C1)=O)C(=O)O)Cl
Depth 2
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
C(C(=O)OCC1=C([N+]2(C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)[O-])C…
Depth 2
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
CC(=O)OCC1=C([N+]2(C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)[O-])C(=O)O
Depth 1
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)[S+](C1)Cl)C(=O)O)Cl
Depth 3
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)[S+](C1)Cl)C(=O)O
Depth 2
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
CC(=O)OCC1=C([N+]2(C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)S(C1)=O)[O-…
Depth 2
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)S(C1)(=O)=O)C(=O)O
Depth 2
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Upstream Precursor
CC(=O)OCC1=C([N+]2(C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)[S+](C1)Cl)…
Depth 3
Depiction
Product
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 1
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 2
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 2
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 3
Depiction
Downstream Successor
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 2
Depiction
Downstream Successor
Benzamide
C1=CC=CC(=C1)C(=O)N
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 2
Depiction
Downstream Successor
Benzylamine
c1cccc(c1)CN
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 2
Depiction
Downstream Successor
Phenylglyoxylic Acid
c1cccc(c1)C(C(O)=O)=O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 1
Depiction
Downstream Successor
L-Phenylglycine
C1=CC=C(C=C1)[C@@H](C(=O)O)N
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 3
Depiction
Downstream Successor
4-Hydroxybenzamide
Oc1ccc(cc1)C(N)=O
Depiction
Precursor
3-[(Acetyloxy)methyl]-7-[(aminophenylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O
Depth 2
Depiction
Downstream Successor
4-Hydroxyphenylglycine
NC(c1ccc(cc1)O)C(=O)O
No Original Precursors

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