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Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
21 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

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

Depiction
Upstream Precursor
ORFOPKXBNMVMKC-UHFFFAOYSA-O
7-[[2-(2-Amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+…
Depth 1
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
SYLKGLMBLAAGSC-QLVMHMETSA-O
(6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)S(=O)(…
Depth 3
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
CZTQZXZIADLWOZ-UHFFFAOYSA-O
Floridin
C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C[N+]4=CC=CC=C4
Depth 1
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
FMZXNVLFJHCSAF-DNVCBOLYSA-O
(6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O)C[N+]4=…
Depth 3
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
OIXDMUBKPRHZKH-UHFFFAOYSA-O
NC1C2N(C1=O)C(=C(CS2=O)C[N+]3=CC=CC=C3)C(=O)O
Depth 1
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
LWELHHNINKNYBU-UHFFFAOYSA-O
NC1C2[N+](C1=O)(C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O)[O-]
Depth 1
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
IKKCWRAYDUYERM-UHFFFAOYSA-O
7-Amino-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C[N+]3=CC=C(C=C3)C(=O)N
Depth 2
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
IHVOEDPITWLJEX-UHFFFAOYSA-O
NC1C2N(C1=O)C(=C(C[S+]2Cl)C[N+]3=CC=CC=C3)C(=O)O
Depth 2
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
FHXSMMLRWXNGCJ-UHFFFAOYSA-O
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3=O)C[…
Depth 2
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depiction
Upstream Precursor
YLPSXNOXAQIFFK-UHFFFAOYSA-O
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)NO)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N…
Depth 1
Depiction
Product
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O

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

Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 3
Depiction
Downstream Successor
JINBYESILADKFW-UHFFFAOYSA-N
Aminomalonic acid
C(C(N)C(=O)O)(O)=O
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 2
Depiction
Downstream Successor
GGOZGYRTNQBSSA-UHFFFAOYSA-N
2,3-Dihydroxypyridine
N1C=CC=C(C1=O)O
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 3
Depiction
Downstream Successor
KNQHBAFIWGORKW-UHFFFAOYSA-N
2,3-Diamino-3-oxopropanoic acid
C(C(C(N)=O)N)(O)=O
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 2
Depiction
Downstream Successor
HYVKYBZFURWGNT-UHFFFAOYSA-N
3-Aminoazetidine-2,4-dione
N1C(C(C1=O)N)=O
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 2
Depiction
Downstream Successor
AEHXBAQKRFYEGO-UHFFFAOYSA-N
3-Amino-4-sulfanylazetidin-2-one
N1C(S)C(C1=O)N
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 2
Depiction
Downstream Successor
ILVXOBCQQYKLDS-UHFFFAOYSA-N
Pyridine N-Oxide
C1=CC=[N+](C=C1)[O-]
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 2
Depiction
Downstream Successor
CMCRWVBZAURIKG-UHFFFAOYSA-N
3-Amino-4-hydroxyazetidin-2-one
N1C(C(C1=O)N)O
Depiction
Precursor
ACIOXMJZEFKYHZ-UHFFFAOYSA-O
7-Amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
NC1C2N(C1=O)C(=C(CS2)C[N+]3=CC=CC=C3)C(=O)O
Depth 1
Depiction
Downstream Successor
BWBVJKVMVLWAJQ-UHFFFAOYSA-O
NC(C1NC(=C(CS1)C[N+]2=CC=CC=C2)C(=O)O)C(=O)O

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

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