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Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
9 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
6 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
7 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
7 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
9 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
9 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
4 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
3 steps
Depiction
Dead-End Product
Sulfoformate
S(=O)(=O)(C([O-])=O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
8 steps
Depiction
Dead-End Product
OC(=O)CS(=O)=O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
6 steps
Depiction
Dead-End Product
OCCS(=O)=O
Depiction
Upstream Precursor
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCSCCOS(=O)(=O)O)S(=O)…
Depth 2
Depiction
Product
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depiction
Upstream Precursor
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)CCOS(=O)(=O)O)S…
Depth 1
Depiction
Product
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depiction
Upstream Precursor
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 1
Depiction
Product
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depiction
Upstream Precursor
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 2
Depiction
Product
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depiction
Upstream Precursor
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)CCOS(=O)(=O)O)S…
Depth 2
Depiction
Product
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 2
Depiction
Downstream Successor
Carbamic Acid
OC(=O)N
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 3
Depiction
Downstream Successor
Chloroacetaldehyde
O=CCCl
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 3
Depiction
Downstream Successor
2-Oxoethyl hydrogen sulfate
O=CCOS(=O)(=O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 2
Depiction
Downstream Successor
C(C(O)=O)=C(C=C(C(O)=O)N)S(=O)(=O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 3
Depiction
Downstream Successor
Ethanethiol, 2-chloro-
SCCCl
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 1
Depiction
Downstream Successor
2-(2-Aminoethylsulfonyl)ethyl hydrogen sulfate
NCCS(=O)(=O)CCOS(=O)(=O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 1
Depiction
Downstream Successor
2-(2-Hydroxyethylsulfonyl)ethyl hydrogen sulfate
C(CS(=O)(=O)CCOS(=O)(=O)O)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 2
Depiction
Downstream Successor
C(CS(=O)(=O)CCOS(=O)(=O)O)=O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 3
Depiction
Downstream Successor
2-(2-Hydroxyethanesulfonyl)acetic acid
C(=O)(CS(=O)(=O)CCO)O
Depiction
Precursor
2-[[C-[4-(2-chloroethylsulfonyl)phenyl]-N-[2-hydroxy-5-sulfo-3-[2-(2-sulfooxyethylsulfonyl)ethylcarbamoylamino]anilino]carbonimidoyl]diazenyl]-4-sulfobenzoic acid
C1=CC(=CC=C1C(=NNC2=CC(=CC(=C2O)NC(=O)NCCS(=O)(=O)CCOS(=O)(=O…
Depth 2
Depiction
Downstream Successor
beta-Hydroxyethyl sulfone
OCCS(=O)(=O)CCO
No Original Precursors

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