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Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
3 steps
Depiction
Dead-End Product
Formic Acid
OC=O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
7 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
5 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
3 steps
Depiction
Dead-End Product
Cyanuric acid
c1(nc(nc(n1)O)O)O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
4 steps
Depiction
Dead-End Product
1,3,5-Triazine-2,4(1H,3H)-dione
Oc1nc(ncn1)O
Depiction
Upstream Precursor
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)SCCOS(=O)(=O)O)C=CC(=C3)NC4=NC(=…
Depth 2
Depiction
Product
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depiction
Upstream Precursor
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)CCOS(=O)(=O)O)C=CC(=C3)NC4=…
Depth 1
Depiction
Product
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 3
Depiction
Downstream Successor
Formic Acid
OC=O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 2
Depiction
Downstream Successor
Carbamic Acid
OC(=O)N
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 3
Depiction
Downstream Successor
Hydroxycarbamic acid
OC(=O)NO
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 3
Depiction
Downstream Successor
Cyanuric acid
c1(nc(nc(n1)O)O)O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 3
Depiction
Downstream Successor
2-Oxoethyl hydrogen sulfate
O=CCOS(=O)(=O)O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
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
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 3
Depiction
Downstream Successor
Ammelide
Nc1nc(nc(n1)O)O
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 3
Depiction
Downstream Successor
1,3,5-Triazine-2,4-diamine, 6-chloro-
C1(=NC(=NC(=N1)Cl)N)N
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 2
Depiction
Downstream Successor
Cyanamide
C(#N)N
Depiction
Precursor
7-[[4-chloro-6-(cyanoamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-phenyl-4-(2-sulfooxyethylsulfonyl)-1H-quinoline-2-sulfonic acid
C1=CC=C(C=C1)C2=C(NC3=C(C2(O)S(=O)(CCOS(=O)(=O)O)=O)C=CC(=C3)…
Depth 1
Depiction
Downstream Successor
(4-Amino-6-chloro-1,3,5-triazin-2-yl)cyanamide
NC1=NC(=NC(=N1)Cl)NC#N
No Original Precursors

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