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Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
5 steps
Depiction
Dead-End Product
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
5 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
8 steps
Depiction
Dead-End Product
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
10 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
8 steps
Depiction
Dead-End Product
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
10 steps
Depiction
Dead-End Product
C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)N(C(S2=O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 1
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)N(C([S+]2Cl)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 2
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)[N+](CCCl)(CCCl)[O-])C…
Depth 1
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)N(C(S2=O)N=NC3=CC=C(C=C3)[N+](CCCl)(CCCl)[O-]…
Depth 2
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)N(C(S2(=O)=O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 2
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)[N+](C(S2=O)N=NC3=CC=C(C=C3)N(CCCl)CCCl)(CCC(…
Depth 2
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)[N+](C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)(CCC(=O…
Depth 1
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)N(C([S+]2Cl)N=NC3=CC=C(C=C3)[N+](CCCl)(CCCl)[…
Depth 3
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)[N+](C([S+]2Cl)N=NC3=CC=C(C=C3)N(CCCl)CCCl)(C…
Depth 3
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Upstream Precursor
COC1=CC2=C(C=C1)[N+](C(S2)N=NC3=CC=C(C=C3)[N+](CCCl)(CCCl)[O-…
Depth 2
Depiction
Product
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 3
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 2
Depiction
Downstream Successor
Acetaldehyde
C(C)=O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 2
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 2
Depiction
Downstream Successor
Glycolaldehyde
C(C=O)O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 3
Depiction
Downstream Successor
Acetamide
NC(=O)C
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 3
Depiction
Downstream Successor
Dichloroacetic Acid
O=C(C(Cl)Cl)O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 3
Depiction
Downstream Successor
3-Hydroxyhexa-2,4-dienedioic acid
C(C=CC(=O)O)(=CC(O)=O)O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 2
Depiction
Downstream Successor
3-Oxopropanoic acid
OC(=O)CC=O
Depiction
Precursor
3-[2-[[4-[bis(2-chloroethyl)amino]phenyl]diazenyl]-6-methoxy-2H-1,3-benzothiazol-3-yl]propanamide
COC1=CC2=C(C=C1)N(C(S2)N=NC3=CC=C(C=C3)N(CCCl)CCCl)CCC(=O)N
Depth 1
Depiction
Downstream Successor
Chloroacetaldehyde
O=CCCl
No Original Precursors

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