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Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
12 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
7 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
5 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
12 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
12 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
7 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
13 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
13 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
9 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Upstream Precursor
C1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(C(=CS3=O)Cl)C(=O)O)N
Depth 1
Depiction
Product
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depiction
Upstream Precursor
C1=CC=C(C=C1)C(C(=O)NC2C3[N+](C2=O)(C(C(=CS3)Cl)C(=O)O)[O-])N
Depth 1
Depiction
Product
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depiction
Upstream Precursor
C1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(C(=C[S+]3Cl)Cl)C(=O)O)N
Depth 2
Depiction
Product
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depiction
Upstream Precursor
C1=CC=C(C=C1)C(C(=O)NC2C3[N+](C2=O)(C(C(=CS3=O)Cl)C(=O)O)[O-])N
Depth 2
Depiction
Product
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depiction
Upstream Precursor
C1=CC=C(C=C1)C(C(=O)NC2C3N(C2=O)C(C(=CS3(=O)=O)Cl)C(=O)O)N
Depth 2
Depiction
Product
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depiction
Upstream Precursor
C1=CC=C(C=C1)C(C(=O)NC2C3[N+](C2=O)(C(C(=C[S+]3Cl)Cl)C(=O)O)[O-])N
Depth 3
Depiction
Product
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 3
Depiction
Downstream Successor
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 2
Depiction
Downstream Successor
Benzamide
C1=CC=CC(=C1)C(=O)N
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 2
Depiction
Downstream Successor
Benzylamine
c1cccc(c1)CN
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 2
Depiction
Downstream Successor
Phenylglyoxylic Acid
c1cccc(c1)C(C(O)=O)=O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 1
Depiction
Downstream Successor
L-Phenylglycine
C1=CC=C(C=C1)[C@@H](C(=O)O)N
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 3
Depiction
Downstream Successor
4-Hydroxybenzamide
Oc1ccc(cc1)C(N)=O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 2
Depiction
Downstream Successor
4-Hydroxyphenylglycine
NC(c1ccc(cc1)O)C(=O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 3
Depiction
Downstream Successor
4-Hydroxybenzylamine
NCc1ccc(cc1)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 3
Depiction
Downstream Successor
3,4-Dihydroxybenzamide
NC(=O)C1=CC(=C(C=C1)O)O
Depiction
Precursor
7-(((2R)-aminophenylacetyl)amino)-3-chloro-8-oxo-5-Thia-1-azabicyclo(4.2.0)oct-3-ene-2-carboxylic acid, (6R,7R)-
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
Depth 3
Depiction
Downstream Successor
Aminomalonic acid
C(C(N)C(=O)O)(O)=O
No Original Precursors

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