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Depiction
Upstream Precursor
3-(Acetyloxy)-5-(2-(dimethylamino)ethyl)-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
Depth 1
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
C(C(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC)Cl
Depth 2
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-1,4-dioxo-2,3-dihydro-1lambda4,5-benzothiazepin-3-yl] acetate
CC(=O)OC1C(S(C2=CC=CC=C2N(C1=O)CCN(C)C)=O)C3=CC=C(C=C3)OC
Depth 2
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[N+](C)(C)[O-])C3=CC=C(C=C3)OC
Depth 2
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
CC(=O)OC1C([S+](C2=CC=CC=C2N(C1=O)CCN(C)C)Cl)C3=CC=C(C=C3)OC
Depth 3
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
C(C(=O)OC1C(S(C2=CC=CC=C2N(C1=O)CCN(C)C)=O)C3=CC=C(C=C3)OC)Cl
Depth 3
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
C(C(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC)(Cl)Cl
Depth 3
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
CC(=O)OC1C(S(C2=CC=CC=C2N(C1=O)CC[N+](C)(C)[O-])=O)C3=CC=C(C=C3)OC
Depth 3
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
C(C(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[N+](C)(C)[O-])C3=CC=C(C=C3)OC)Cl
Depth 3
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Upstream Precursor
C(C(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC)Cl
Depth 1
Depiction
Product
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 1
Depiction
Downstream Successor
Methanol
CO
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 1
Depiction
Downstream Successor
Acetic Acid
CC(=O)O
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 2
Depiction
Downstream Successor
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 2
Depiction
Downstream Successor
Dimethylaminium
C[NH2+]C
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 3
Depiction
Downstream Successor
Methylamine
NC
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 2
Depiction
Downstream Successor
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 3
Depiction
Downstream Successor
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 2
Depiction
Downstream Successor
Glycolaldehyde
C(C=O)O
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 3
Depiction
Downstream Successor
2,4-Hexadienedioic acid, (2Z,4Z)-
C(C=CC=CC(=O)O)(O)=O
Depiction
Precursor
[5-[2-(Dimethylamino)ethyl]-2-(4-methoxyphenyl)-5-oxido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-ium-3-yl] acetate
CC(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC
Depth 3
Depiction
Downstream Successor
Glyoxylic Acid
C(=O)(C=O)O
No Original Precursors

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No Dead-Ends

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