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Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
10 steps
Depiction
Dead-End Product
Methanol
CO
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
4 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
4 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
6 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
10 steps
Depiction
Dead-End Product
Methanediol
C(O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
10 steps
Depiction
Dead-End Product
Methane
C
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
16 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
4 steps
Depiction
Dead-End Product
Sulfoformate
S(=O)(=O)(C([O-])=O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
7 steps
Depiction
Dead-End Product
OC(=O)CS(=O)=O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
3 steps
Depiction
Dead-End Product
Cyanuric acid
c1(nc(nc(n1)O)O)O
Depiction
Upstream Precursor
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 1
Depiction
Product
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depiction
Upstream Precursor
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 2
Depiction
Product
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depiction
Upstream Precursor
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 2
Depiction
Product
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depiction
Upstream Precursor
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 2
Depiction
Product
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depiction
Upstream Precursor
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 1
Depiction
Product
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
Cyanuric acid
c1(nc(nc(n1)O)O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
6-chloro-1,3,5-triazine-2,4(1H,3H)-dione
C1(=O)NC(=NC(=O)N1)Cl
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
Ammelide
Nc1nc(nc(n1)O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
1,3,5-Triazine-2,4-diamine, 6-chloro-
C1(=NC(=NC(=N1)Cl)N)N
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
2-(Ethenesulfonyl)ethan-1-ol
C=CS(=O)(=O)CCO
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 1
Depiction
Downstream Successor
2-(2-Chloroethylsulfonyl)acetaldehyde
O=CCS(=O)(=O)CCCl
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 2
Depiction
Downstream Successor
2-Ethenylsulfonylacetaldehyde
C=CS(=O)(=O)CC=O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
C(=C(C=C(S(=O)(=O)O)C(=O)O)O)(O)C(O)=O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 3
Depiction
Downstream Successor
2-(Ethenesulfonyl)acetic acid
C=CS(=O)(=O)CC(=O)O
Depiction
Precursor
1-[4-[[4-[bis[2-(2-chloroethylsulfonyl)ethyl]amino]-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]-5-oxo-4-[(2-sulfophenyl)diazenyl]-4H-pyrazole-3-carboxylic acid
C1=CC=C(C(=C1)N=NC2C(=NN(C2=O)C3=C(C=C(C=C3)NC4=NC(=NC(=N4)Cl…
Depth 2
Depiction
Downstream Successor
2-(2-Chloroethylsulfonyl)acetic acid
C(CS(=O)(=O)CCCl)(=O)O
No Original Precursors

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