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Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
1 step
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
5 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
7 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
11 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
11 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
7 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
11 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
9 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
8 steps
Depiction
Dead-End Product
C(=C=C=C(O)C(=O)O)C(O)=O
Depiction
Upstream Precursor
CN(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 2
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
COC1=NC(=NC(=N1)N(CCO)C(CO)=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3…
Depth 1
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4…
Depth 2
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
C(N(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(…
Depth 1
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
C[N+](CCO)(C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=…
Depth 2
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
COC1=NC(=NC(=N1)[N+](CCO)(CCO)[O-])NC2=CC(=C(C=C2)C=CC3=C(C=C…
Depth 2
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
COC1=NC(=NC(=N1)N(CCO)C(CO)=O)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3…
Depth 2
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 1
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
COC1=NC(=NC(=N1)[N+](CCO)(CCO)[O-])NC2=CC(=C(C=C2)C=CC3=C(C=C…
Depth 3
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Upstream Precursor
CN(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 1
Depiction
Product
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 1
Depiction
Downstream Successor
Methanol
CO
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 2
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 1
Depiction
Downstream Successor
Glycolaldehyde
C(C=O)O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 2
Depiction
Downstream Successor
Ethanolamine
NCCO
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 3
Depiction
Downstream Successor
Aminoacetaldehyde
NCC=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 3
Depiction
Downstream Successor
2-Hydroxyacetamide
C(O)C(N)=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 3
Depiction
Downstream Successor
Cyanuric acid
c1(nc(nc(n1)O)O)O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 3
Depiction
Downstream Successor
5-Azaniumyl-2-formylbenzenesulfonate
C1=CC(=C(C=C1N)S(=O)(=O)O)C=O
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 3
Depiction
Downstream Successor
3-Hydroxyethanolamine
OCCNO
Depiction
Precursor
5-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
COC1=NC(=NC(=N1)NCCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=…
Depth 3
Depiction
Downstream Successor
Ammelide
Nc1nc(nc(n1)O)O
No Original Precursors

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