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Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
5 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
7 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
11 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
11 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
8 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Upstream Precursor
HBTHNRIBJIIVOW-UHFFFAOYSA-N
C(C(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC)Cl
Depth 1
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
ZHSTYLQHFVBOIN-UHFFFAOYSA-N
[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 1
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
CJNKAQOSTBYXJM-UHFFFAOYSA-N
CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[N+](C)(C)[O-])C3=CC=C(C=C3)OC
Depth 1
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
VMYITXJQDGPHNJ-UHFFFAOYSA-N
[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
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
FGMPZNGISPOSSB-UHFFFAOYSA-N
CC(=O)OC1C([S+](C2=CC=CC=C2N(C1=O)CCN(C)C)Cl)C3=CC=C(C=C3)OC
Depth 2
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
CVHBAFKDYYCZOT-UHFFFAOYSA-N
C(C(=O)OC1C(S(C2=CC=CC=C2N(C1=O)CCN(C)C)=O)C3=CC=C(C=C3)OC)Cl
Depth 2
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
NKUDWPLXAKSDTI-UHFFFAOYSA-N
C(C(=O)OC1C([S+](C2=CC=CC=C2N(C1=O)CCN(C)C)Cl)C3=CC=C(C=C3)OC)Cl
Depth 3
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
AYRPMVMXTCSHGL-UHFFFAOYSA-N
C(C(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC)(Cl)Cl
Depth 2
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
PJRGBWACMYQLHI-UHFFFAOYSA-N
C(C(=O)OC1C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC)Cl
Depth 2
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Depiction
Upstream Precursor
VZJXNDYJYYEJAP-UHFFFAOYSA-N
CC(=O)OC1C(S(C2=CC=CC=C2N(C1=O)CC[N+](C)(C)[O-])=O)C3=CC=C(C=C3)OC
Depth 2
Depiction
Product
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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

Previewing top 10 entries. If you want the full results, please use the download button above.

Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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
Downstream Successor
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Acetic Acid
CC(=O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 2
Depiction
Downstream Successor
FOCAUTSVDIKZOP-UHFFFAOYSA-M
Chloroacetate
[O-]C(=O)CCl
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 2
Depiction
Downstream Successor
ROSDSFDQCJNGOL-UHFFFAOYSA-O
Dimethylaminium
C[NH2+]C
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 2
Depiction
Downstream Successor
AEMRFAOFKBGASW-UHFFFAOYSA-N
Glycolic Acid
C(=O)(CO)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 3
Depiction
Downstream Successor
JBEBGTMCZIGUTK-UHFFFAOYSA-N
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 2
Depiction
Downstream Successor
WGCNASOHLSPBMP-UHFFFAOYSA-N
Glycolaldehyde
C(C=O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 3
Depiction
Downstream Successor
TXXHDPDFNKHHGW-UHFFFAOYSA-N
2,4-Hexadienedioic acid, (2Z,4Z)-
C(C=CC=CC(=O)O)(O)=O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 3
Depiction
Downstream Successor
HHLFWLYXYJOTON-UHFFFAOYSA-N
Glyoxylic Acid
C(=O)(C=O)O
Depiction
Precursor
HSUGRBWQSSZJOP-UHFFFAOYSA-N
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 3
Depiction
Downstream Successor
HZAXFHJVJLSVMW-UHFFFAOYSA-N
Ethanolamine
NCCO

Previewing top 10 entries. If you want the full results, please use the download button above.

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