Upstream Precursor

FJJNRKHLRYUGJW-UHFFFAOYSA-N

Tert-butyl 3-(bromomethyl)-5,8-dioxo-7-[(2-phenylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CC(C)(C)OC(=O)C1=C(CS(C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)=O)CBr

Depth 3

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

KFCMZNUGNLCSJQ-UHFFFAOYSA-N

(4-Methoxyphenyl)methyl 3-(chloromethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

COC1=CC=C(C=C1)COC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)CCl

Depth 2

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

KRSQRWDTNJRUNK-UHFFFAOYSA-N

Benzhydryl 3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C…

Depth 1

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

PHIMLNXVWFHTLQ-UHFFFAOYSA-N

3-Methyl-5,8-dioxo-7-[(2-phenylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

OC(=O)C1=C(CS(=O)C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)C

Depth 1

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

WHERMLSFDXCIQO-UHFFFAOYSA-N

3-(Chloromethyl)-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

C(=O)(C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CCl)O

Depth 1

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

JUDOUZPKVZRNSQ-UHFFFAOYSA-N

OC(=O)C1=C(CS(C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)=O)CCl

Depth 2

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

CVJYRSZUSYJJKZ-UHFFFAOYSA-N

OC(=O)C1=C(CSC2[N+]1(C(=O)C2NC(=O)CC3=CC=CC=C3)[O-])CCl

Depth 2

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

DZTUXICSEJQYGT-UHFFFAOYSA-O

OC(=O)C1=C(C[S+](C2N1C(=O)C2NC(=O)CC3=CC=CC=C3)Cl)CCl

Depth 3

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

GQKJWFOXIMBZSK-UHFFFAOYSA-N

CC1=C([N+]2(C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)[O-])C(=O)O

Depth 1

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Upstream Precursor

CZGYSVWKNOWRHE-UHFFFAOYSA-O

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)[S+](C1)Cl)C(=O)O

Depth 2

Product

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

WPYMKLBDIGXBTP-UHFFFAOYSA-N

Benzoic Acid

C1=CC(=CC=C1)C(O)=O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 2

Downstream Successor

HUMNYLRZRPPJDN-UHFFFAOYSA-N

Benzaldehyde

c1cccc(c1)C=O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 2

Downstream Successor

WVDDGKGOMKODPV-UHFFFAOYSA-N

Benzyl Alcohol

c1cccc(c1)CO

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

JBEBGTMCZIGUTK-UHFFFAOYSA-N

2-Hydroxyhexa-2,4-diendioic acid

C(=CC=CC(=O)O)(C(O)=O)O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

BVJSUAQZOZWCKN-UHFFFAOYSA-N

4-Hydroxybenzyl Alcohol

OCC1=CC=C(C=C1)O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

RGHHSNMVTDWUBI-UHFFFAOYSA-N

4-Hydroxybenzaldehyde

C(=O)c1ccc(cc1)O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

XSTNPMZXSUYJJA-UHFFFAOYSA-N

4-(Hydroxymethyl)cyclohexa-2,5-dien-1-one

C1(C=CC(CO)C=C1)=O

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 2

Downstream Successor

YXFVVABEGXRONW-UHFFFAOYSA-N

Toluene

C1=CC=CC=C1C

Precursor

CIPQGGYPCPIDBB-UHFFFAOYSA-N

3-Methyl-8-oxo-7-[(phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O

Depth 3

Downstream Successor

LFELPNODBDSREQ-UHFFFAOYSA-N

4-Oxocyclohexa-2,5-diene-1-carbaldehyde

C1(C=CC(C=O)C=C1)=O