Search More · GCI-TPs

Graphs show a maximum of 100 compounds. Use downloads for complete results.

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

12 steps

Dead-End Product

OKKJLVBELUTLKV-UHFFFAOYSA-N

Methanol

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

3 steps

Dead-End Product

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

4 steps

Dead-End Product

BVKZGUZCCUSVTD-UHFFFAOYSA-N

Carbonic Acid

C(=O)(O)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

6 steps

Dead-End Product

MUBZPKHOEPUJKR-UHFFFAOYSA-N

Oxalic Acid

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

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

12 steps

Dead-End Product

CKFGINPQOCXMAZ-UHFFFAOYSA-N

Methanediol

C(O)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

12 steps

Dead-End Product

VNWKTOKETHGBQD-UHFFFAOYSA-N

Methane

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

8 steps

Dead-End Product

HEPCJCVNHBXRBO-UHFFFAOYSA-N

Succinyl-carboxylic acid

C(CCC(=O)C(=O)O)(=O)C(O)=O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

14 steps

Dead-End Product

RBBOAWUPWQANPY-UHFFFAOYSA-N

1,2,4-Butantriol Alkohol

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

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

14 steps

Dead-End Product

YPOPNBBFFROUGR-UHFFFAOYSA-N

But-1-ene-1,1,4-triol

C(CC=C(O)O)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

6 steps

Dead-End Product

LJDZFAPLPVPTBD-UHFFFAOYSA-M

CID 22568690

C([N+](=O)[O-])([O-])=O

Previewing top 10 entries. If you want the full results, please use the download button above.

Upstream Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Product

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Upstream Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Product

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Upstream Precursor

UOOGMOZPXPYNBK-UHFFFAOYSA-N

CC1=C(N2C(C(C2=O)N)S(C1)=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Product

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Upstream Precursor

UOOGMOZPXPYNBK-UHFFFAOYSA-N

CC1=C(N2C(C(C2=O)N)S(C1)=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Product

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Upstream Precursor

TVOFFUKQOLKVIB-UHFFFAOYSA-N

CC1=C(N2C(C(C2=O)N)[S+](C1)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Product

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Upstream Precursor

YSEJBEBMYAEMEN-UHFFFAOYSA-N

CC1=C(N2C(C(C2=O)N)S(C1)(=O)=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Product

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Previewing top 6 entries. If you want the full results, please use the download button above.

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Downstream Successor

BVJSUAQZOZWCKN-UHFFFAOYSA-N

4-Hydroxybenzyl Alcohol

OCC1=CC=C(C=C1)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

PriorBiotransformation

Downstream Successor

BVJSUAQZOZWCKN-UHFFFAOYSA-N

4-Hydroxybenzyl Alcohol

OCC1=CC=C(C=C1)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

PriorBiotransformation

Downstream Successor

JKTYGPATCNUWKN-UHFFFAOYSA-N

4-Nitrobenzyl alcohol

c1cc(ccc1CO)[N+](=O)[O-]

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Downstream Successor

JKTYGPATCNUWKN-UHFFFAOYSA-N

4-Nitrobenzyl alcohol

c1cc(ccc1CO)[N+](=O)[O-]

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Downstream Successor

AXKGIPZJYUNAIW-UHFFFAOYSA-N

4-Aminobenzyl alcohol

NC1=CC=C(C=C1)CO

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

PriorBiotransformation

Downstream Successor

AXKGIPZJYUNAIW-UHFFFAOYSA-N

4-Aminobenzyl alcohol

NC1=CC=C(C=C1)CO

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Downstream Successor

NVIAYEIXYQCDAN-UHFFFAOYSA-O

CC1=C([NH+]2C(C(C2=O)N)SC1)C(=O)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

PriorBiotransformation

Downstream Successor

NVIAYEIXYQCDAN-UHFFFAOYSA-O

CC1=C([NH+]2C(C(C2=O)N)SC1)C(=O)O

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Abiotic

Downstream Successor

BXRFQSNOROATLV-UHFFFAOYSA-N

4-Nitrobenzaldehyde

c1cc(ccc1C=O)[N+](=O)[O-]

Precursor

ABTUPEBOWRKQLD-UHFFFAOYSA-N

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

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

PriorBiotransformation

Downstream Successor

BXRFQSNOROATLV-UHFFFAOYSA-N

4-Nitrobenzaldehyde

c1cc(ccc1C=O)[N+](=O)[O-]

Previewing top 10 entries. If you want the full results, please use the download button above.

No Original Precursors

No entries were found for this section with the current query and depth.

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