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Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
10 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
2 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
3 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
6 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
10 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
10 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
6 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
16 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
9 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
9 steps
Depiction
Dead-End Product
C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O
Depiction
Upstream Precursor
C(=C(C=C(S(=O)(=O)NC1=CC(=C(C=C1)OCCCCCCCC)S(=O)(=O)NCC(C)C2=…
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
OC1=C(C=C(C=C1O)C(C)(C)CC(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)OCCC…
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
OC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)OCCCC…
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
OC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)N(C2=CC(=C(C=C2)OCCC…
Depth 2
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
OC1=C(C=C(C=C1Cl)C(C)(C)CC(C)(C)C)S(=O)(=O)NC2=CC(=C(C=C2)OCC…
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
N-[3-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propylsulfamoyl]-4-octoxyphenyl]-2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)NC2=CC(=C(C=…
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
N(c1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl)O
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
CCCCCCCCC1=CC(=CC(=C1O)S(=O)(=O)N(C2=CC(=C(C=C2)OCCCCCCCC)S(=…
Depth 2
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
CCCCCCCCOC1=C(C=C(C=C1)C(C)(C)CC(C)(C)C)S(=O)(=O)N(C2=CC(=C(C…
Depth 2
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Upstream Precursor
CCCCCCCCC1=CC(=CC(=C1O)S(=O)(=O)NC2=CC(=C(C=C2)OCCCCCCCC)S(=O…
Depth 1
Depiction
Product
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 3
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 2
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 3
Depiction
Downstream Successor
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 2
Depiction
Downstream Successor
4-Aminophenol
c1cc(ccc1O)N
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 3
Depiction
Downstream Successor
4-Aminocatechol
OC1=C(C=CC(=C1)N)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 1
Depiction
Downstream Successor
1-Octanol
OCCCCCCCC
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 3
Depiction
Downstream Successor
Chloroformic acid
C(O)(Cl)=O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 3
Depiction
Downstream Successor
Hydroquinone
C1(=CC=C(C=C1)O)O
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 3
Depiction
Downstream Successor
4-Aminoresorcinol
Oc1c(ccc(c1)O)N
Depiction
Precursor
5-amino-N-[2-(7-chloro-6-methyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)propyl]-2-octoxybenzenesulfonamide
Nc1cc(c(cc1)OCCCCCCCC)S(=O)(=O)NCC(C)c2nn3c(n2)c(c([nH]3)C)Cl
Depth 2
Depiction
Downstream Successor
Octanoic Acid
C(CCCCCCC)(O)=O
No Original Precursors

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