Graphs show a maximum of 100 compounds. Use downloads for complete results.
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
8 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
4 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
5 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
8 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
8 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
8 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
15 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
15 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
11 steps
Depiction
Dead-End Product
WCJLIWFWHPOTAC-UHFFFAOYSA-N
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O

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

Depiction
Upstream Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
GUTQBWBUYFABLB-UHFFFAOYSA-N
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
GUTQBWBUYFABLB-UHFFFAOYSA-N
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
ZXOZVWXJCDHKBT-UHFFFAOYSA-N
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(C1)=O)C(=O)OCC(=O)…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
YNDJNYCYALRXSB-UHFFFAOYSA-N
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(C1)=O)C(=O)OCC(=O…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
ZXOZVWXJCDHKBT-UHFFFAOYSA-N
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(C1)=O)C(=O)OCC(=O)…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
YKNDJLCARGIPLV-UHFFFAOYSA-N
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
RCWXRRLPQBDZAJ-UHFFFAOYSA-O
C(C(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)[S+](C1)Cl)C(=O)OCC…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Depiction
Upstream Precursor
FRLNJPSVZDYJGZ-UHFFFAOYSA-O
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)[S+](C1)Cl)C(=O)OCC(…
Abiotic
Depiction
Product
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…

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

Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
FOCAUTSVDIKZOP-UHFFFAOYSA-M
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
AEMRFAOFKBGASW-UHFFFAOYSA-N
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
SMJRBWINMFUUDS-UHFFFAOYSA-N
2-Thiopheneacetic acid
OC(=O)CC1=CC=CS1
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
HSHGZXNAXBPPDL-UHFFFAOYSA-N
3-((Acetyloxy)methyl)-7-amino-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
CNUDBTRUORMMPA-UHFFFAOYSA-N
2-Thiophenecarboxaldehyde
C(=O)c1cccs1
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
DGDIIVYYYJNBID-UHFFFAOYSA-N
C1=CS(C(=C1)CC(O)=O)=O
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
DMDCUPKBRHFLKH-UHFFFAOYSA-N
1-(4-Chlorophenyl)-2-hydroxyethan-1-one
c1cc(ccc1C(=O)CO)Cl
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
Abiotic
Depiction
Downstream Successor
DMDCUPKBRHFLKH-UHFFFAOYSA-N
1-(4-Chlorophenyl)-2-hydroxyethan-1-one
c1cc(ccc1C(=O)CO)Cl
Depiction
Precursor
MONDTVMBCMIXGR-UHFFFAOYSA-N
[2-(4-Chlorophenyl)-2-oxoethyl] 3-(acetyloxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)OCC(=O)C4=C…
PriorBiotransformation
Depiction
Downstream Successor
DMDCUPKBRHFLKH-UHFFFAOYSA-N
1-(4-Chlorophenyl)-2-hydroxyethan-1-one
c1cc(ccc1C(=O)CO)Cl

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No Original Precursors

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