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Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
11 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
5 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
4 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
11 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
11 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
8 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
12 steps
Depiction
Dead-End Product
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
12 steps
Depiction
Dead-End Product
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
5 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CS(C1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN…
Depth 2
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 1
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CS(C1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN…
Depth 1
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)C[S+](C1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3…
Depth 3
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CS(C1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN…
Depth 3
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CS(C1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN…
Depth 2
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 2
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 2
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Upstream Precursor
CCCCC(CC)COC(=O)C[S+](C1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3…
Depth 2
Depiction
Product
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 3
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 3
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 3
Depiction
Downstream Successor
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 1
Depiction
Downstream Successor
2-Ethylhexanol
CCCCC(CC)CO
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 1
Depiction
Downstream Successor
Pivalic acid
C(C(C)(C)C)(O)=O
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 2
Depiction
Downstream Successor
2-Ethylhexanal
O=CC(CC)CCCC
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 3
Depiction
Downstream Successor
2-Ethylhexanoic Acid
OC(=O)C(CC)CCCC
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 3
Depiction
Downstream Successor
2-Nitrophenol
c1ccc(c(c1)O)[N+](=O)[O-]
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 3
Depiction
Downstream Successor
4-Aminothiophenol
SC1=CC=C(C=C1)N
Depiction
Precursor
2-ethylhexyl 2-[4-[[4-[6-tert-butyl-7-[4-(2,2-dimethylpropanoylamino)phenyl]sulfanyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl]phenyl]sulfamoyl]-2-nitrophenyl]sulfanylacetate
CCCCC(CC)COC(=O)CSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN4…
Depth 2
Depiction
Downstream Successor
3-Hydroxy-2,2-dimethylpropionic acid
C(C(CO)(C)C)(=O)O
No Original Precursors

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