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Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
11 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
2 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
6 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
6 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
11 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
11 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
6 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
14 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
14 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
10 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Upstream Precursor
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 1
Depiction
Product
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 2
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 2
Depiction
Downstream Successor
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 3
Depiction
Downstream Successor
3-Oxopropanoic acid
OC(=O)CC=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 3
Depiction
Downstream Successor
2,3-Dihydroxyhexa-2,4-dienedioic acid
OC(=C(C=CC(=O)O)O)C(O)=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 3
Depiction
Downstream Successor
2-Chloro-5-hydroxyhexa-2,4-dienedioic acid
C(=CC=C(O)C(=O)O)(Cl)C(O)=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 1
Depiction
Downstream Successor
3-Sulfopropionaldehyde
C(C=O)CS(=O)(=O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 3
Depiction
Downstream Successor
5-Oxo-2-hexenedioic acid
C(C=CC(=O)O)C(=O)C(O)=O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 3
Depiction
Downstream Successor
4,5-Dihydroxyhex-2-enedioic acid
C(=CC(=O)O)C(C(C(=O)O)O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 2
Depiction
Downstream Successor
3-Sulfopropionic acid
C(=O)(CCS(=O)(=O)O)O
Depiction
Precursor
3-[5-Chloro-2-[2-[[5-phenyl-3-(3-sulfopropyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-3a,4-dihydro-1,3-benzoxazol-3-yl]propane-1-sulfonic acid
CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCS(=O)(=O)O)C=C4…
Depth 3
Depiction
Downstream Successor
2-Hydroxy-2-hexenedioic acid
C(CC(O)=O)C=C(C(O)=O)O
No Original Precursors

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