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Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

1 step

Dead-End Product

OKKJLVBELUTLKV-UHFFFAOYSA-N

Methanol

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

3 steps

Dead-End Product

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

4 steps

Dead-End Product

BVKZGUZCCUSVTD-UHFFFAOYSA-N

Carbonic Acid

C(=O)(O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

4 steps

Dead-End Product

MUBZPKHOEPUJKR-UHFFFAOYSA-N

Oxalic Acid

C(=O)(C(O)=O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

10 steps

Dead-End Product

CKFGINPQOCXMAZ-UHFFFAOYSA-N

Methanediol

C(O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

10 steps

Dead-End Product

VNWKTOKETHGBQD-UHFFFAOYSA-N

Methane

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

6 steps

Dead-End Product

HEPCJCVNHBXRBO-UHFFFAOYSA-N

Succinyl-carboxylic acid

C(CCC(=O)C(=O)O)(=O)C(O)=O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

10 steps

Dead-End Product

RBBOAWUPWQANPY-UHFFFAOYSA-N

1,2,4-Butantriol Alkohol

C(CC(C(O)O)O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

10 steps

Dead-End Product

YPOPNBBFFROUGR-UHFFFAOYSA-N

But-1-ene-1,1,4-triol

C(CC=C(O)O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

7 steps

Dead-End Product

LJDZFAPLPVPTBD-UHFFFAOYSA-M

CID 22568690

C([N+](=O)[O-])([O-])=O

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Upstream 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

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

NZHUXMZTSSZXSB-UHFFFAOYSA-N

5-[2-(Dimethylamino)ethyl]-3-hydroxy-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-one

C1(C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC)O

Depth 1

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

VYDKVVZPUNXZSU-UHFFFAOYSA-N

C1(C(S(C2=CC=CC=C2N(C1=O)CCN(C)C)=O)C3=CC=C(C=C3)OC)O

Depth 2

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

KMOINXFJYPISCN-UHFFFAOYSA-N

COC1=CC=C(C=C1)C2C(C(=O)NC3=CC=CC=C3S2=O)O

Depth 1

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

HNXJRKQNTGIDDU-UHFFFAOYSA-N

O-Desacetyl-N-desmethyl Diltiazem

C1(C(SC2=CC=CC=C2N(C1=O)CCNC)C3=CC=C(C=C3)OC)O

Depth 1

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

WKLRIRQZTCFCSE-UHFFFAOYSA-N

Benzo[b][1,4]thiazepin-4(5H)-one, 2,3-dihydro-3-acetoxy-2-(4-methoxyphenyl)-

CC(=O)OC1C(Sc2ccccc2NC1=O)c3ccc(cc3)OC

Depth 1

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

LIGFOPFQKCDTAF-UHFFFAOYSA-N

C1(C([S+](C2=CC=CC=C2N(C1=O)CCN(C)C)Cl)C3=CC=C(C=C3)OC)O

Depth 3

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

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 2

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Upstream Precursor

LSTJYGOXZAECCC-UHFFFAOYSA-N

C1(C(SC2=CC=CC=C2[N+](C1=O)(CCN(C)C)[O-])C3=CC=C(C=C3)OC)O

Depth 2

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

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 3

Product

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

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

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 1

Downstream Successor

OKKJLVBELUTLKV-UHFFFAOYSA-N

Methanol

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 3

Downstream Successor

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Acetic Acid

CC(=O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 3

Downstream Successor

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 2

Downstream Successor

JBEBGTMCZIGUTK-UHFFFAOYSA-N

2-Hydroxyhexa-2,4-diendioic acid

C(=CC=CC(=O)O)(C(O)=O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 2

Downstream Successor

TXXHDPDFNKHHGW-UHFFFAOYSA-N

2,4-Hexadienedioic acid, (2Z,4Z)-

C(C=CC=CC(=O)O)(O)=O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 3

Downstream Successor

YCIMNLLNPGFGHC-UHFFFAOYSA-N

Catechol

c1c(c(ccc1)O)O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 2

Downstream Successor

CDAWCLOXVUBKRW-UHFFFAOYSA-N

2-Aminophenol

C1=CC(=C(C=C1)O)N

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 3

Downstream Successor

IQFNSSXLMQNRQZ-UHFFFAOYSA-N

2,3-Dihydroxyhexa-2,4-dienedioic acid

OC(=C(C=CC(=O)O)O)C(O)=O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 3

Downstream Successor

KSJULTYOHJNRCL-UHFFFAOYSA-N

C(C(=C(O)C(=O)O)Cl)=CC(O)=O

Precursor

LHBHZALHFIQJGJ-UHFFFAOYSA-N

(2S,3S)-(+)-2,3-Dihydro-3-hydroxy-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one

C1(C(Sc2ccccc2NC1=O)c3ccc(cc3)OC)O

Depth 3

Downstream Successor

NQNIOZLUWJONON-UHFFFAOYSA-N

2-Chloro-5-hydroxyhexa-2,4-dienedioic acid

C(=CC=C(O)C(=O)O)(Cl)C(O)=O

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

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