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Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

10 steps

Dead-End Product

OKKJLVBELUTLKV-UHFFFAOYSA-N

Methanol

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

3 steps

Dead-End Product

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

4 steps

Dead-End Product

BVKZGUZCCUSVTD-UHFFFAOYSA-N

Carbonic Acid

C(=O)(O)O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

4 steps

Dead-End Product

MUBZPKHOEPUJKR-UHFFFAOYSA-N

Oxalic Acid

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

10 steps

Dead-End Product

CKFGINPQOCXMAZ-UHFFFAOYSA-N

Methanediol

C(O)O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

10 steps

Dead-End Product

VNWKTOKETHGBQD-UHFFFAOYSA-N

Methane

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

7 steps

Dead-End Product

HEPCJCVNHBXRBO-UHFFFAOYSA-N

Succinyl-carboxylic acid

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

10 steps

Dead-End Product

RBBOAWUPWQANPY-UHFFFAOYSA-N

1,2,4-Butantriol Alkohol

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

10 steps

Dead-End Product

YPOPNBBFFROUGR-UHFFFAOYSA-N

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

C(CC=C(O)O)O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

8 steps

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.

Upstream Precursor

FXJNLPUSSHEDON-UHFFFAOYSA-N

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3S(C4=CC=CC=C42)=O

Depth 1

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

YBXVGUBJNDJAPY-UHFFFAOYSA-N

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3[S+](C4=CC=CC=C42)Cl

Depth 2

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

VVBXDYFGQNNTDS-UHFFFAOYSA-N

Quetiapine N-oxide

C1CN(CC[N+]1(CCOCCO)[O-])C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 1

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

UCZAQBMZWMIZRE-UHFFFAOYSA-N

1-(2-(2-Hydroxyethoxy)ethyl)-4-(5-oxidodibenzo[b,f][1,4]thiazepin-11-yl)piperazine 1-oxide

C1CN(CC[N+]1(CCOCCO)[O-])C2=NC3=CC=CC=C3S(C4=CC=CC=C42)=O

Depth 2

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

SQUTWXZEWJNIQN-UHFFFAOYSA-N

Quetiapine Sulfone

C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3S(C4=CC=CC=C42)(=O)=O

Depth 2

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

UBQLPZQBXZTJFF-UHFFFAOYSA-N

C1C[N+](CCN1CCOCCO)(C2=NC3=CC=CC=C3S(C4=CC=CC=C42)=O)[O-]

Depth 2

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

HXYZOOFHSGRJDE-UHFFFAOYSA-N

1-(Dibenzo[b,f][1,4]thiazepin-11-yl)-4-(2-(2-hydroxyethoxy)ethyl)piperazine 1-oxide

C1C[N+](CCN1CCOCCO)(C2=NC3=CC=CC=C3SC4=CC=CC=C42)[O-]

Depth 1

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

XXYUNHLQYGWLKB-UHFFFAOYSA-N

C1CN(CC[N+]1(CCOCCO)[O-])C2=NC3=CC=CC=C3[S+](C4=CC=CC=C42)Cl

Depth 3

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

LOBVPMDWOJAOAS-UHFFFAOYSA-N

C1C[N+](CCN1CCOCCO)(C2=NC3=CC=CC=C3[S+](C4=CC=CC=C42)Cl)[O-]

Depth 3

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Upstream Precursor

YJKMTBIKCJQSOJ-UHFFFAOYSA-N

C1C[N+](CC[N+]1(CCOCCO)[O-])(C2=NC3=CC=CC=C3SC4=CC=CC=C42)[O-]

Depth 2

Product

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Acetic Acid

CC(=O)O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

BDAGIHXWWSANSR-UHFFFAOYSA-N

Formic Acid

OC=O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

JBEBGTMCZIGUTK-UHFFFAOYSA-N

2-Hydroxyhexa-2,4-diendioic acid

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 2

Downstream Successor

TXXHDPDFNKHHGW-UHFFFAOYSA-N

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

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

CDAWCLOXVUBKRW-UHFFFAOYSA-N

2-Aminophenol

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 2

Downstream Successor

GLUUGHFHXGJENI-UHFFFAOYSA-N

Piperazine

C1CNCCN1

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

ICMVYBXQDUXEEE-UHFFFAOYSA-N

CID 417

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

OZNNVVBQWHRHHH-UHFFFAOYSA-N

2-Chloro-2,4-hexadienedioic acid

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

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

FEGRFLSNPCOSRJ-UHFFFAOYSA-N

2-((2-Aminoethyl)amino)acetaldehyde

C(CN)NCC=O

Precursor

URKOMYMAXPYINW-UHFFFAOYSA-O

2-[2-(4-Benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-ium-1-yl)ethoxy]ethanol

C1C[NH+](CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42

Depth 3

Downstream Successor

KDKGWGUUUVROTO-UHFFFAOYSA-N

4-Hydroxypiperazine

N1(CCNCC1)O

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

No Original Precursors

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