Search More · GCI-TPs

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Upstream Precursor

HQOCWPHRUQRXEC-UHFFFAOYSA-O

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[NH+](CC4)CCCO

Depth 1

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

XREFTFGPHDKAPT-UHFFFAOYSA-N

CSC1=CC2=C(C=C1)S(C3=CC=CC=C3CC2N4CCN(CC4)CCCO)=O

Depth 2

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

VXYFICJBODGNEB-UHFFFAOYSA-N

C(CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[S+](C)Cl)O

Depth 3

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

HJBFHQLBYUFHBU-UHFFFAOYSA-N

3-[4-(3-Methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol

CS(C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO)=O

Depth 2

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

CQQPJUZJGAAUMY-UHFFFAOYSA-N

C(CCN1CCN(CC1)C2CC3=CC=CC=C3[S+](C4=C2C=C(C=C4)SC)Cl)O

Depth 3

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

HTZFBWWYWSOCFF-UHFFFAOYSA-N

METITEPINE_met011

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2O

Depth 1

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

ANPSMORQVXGJEV-UHFFFAOYSA-N

3-[4-(3-Methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol

C(CC[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-])O

Depth 1

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

IJKDBXYJHLSDCT-UHFFFAOYSA-N

C(CC[N+]1(CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)Cl)O

Depth 1

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

MGRFBKHNKDJHCC-UHFFFAOYSA-N

C(CCN1CC[N+](CC1)(C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-])O

Depth 2

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Upstream Precursor

UQNDJXPUYWDDFP-UHFFFAOYSA-N

1-[10,11-Dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]piperazine

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCNCC4

Depth 1

Product

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

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

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 1

Downstream Successor

OKKJLVBELUTLKV-UHFFFAOYSA-N

Methanol

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 3

Downstream Successor

QTBSBXVTEAMEQO-UHFFFAOYSA-N

Acetic Acid

CC(=O)O

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 2

Downstream Successor

TXXHDPDFNKHHGW-UHFFFAOYSA-N

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

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

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 1

Downstream Successor

LSDPWZHWYPCBBB-UHFFFAOYSA-N

Methanethiol

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 3

Downstream Successor

KDYFGRWQOYBRFD-UHFFFAOYSA-N

Succinic Acid

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

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 3

Downstream Successor

KEIVLHIFSZBKGU-UHFFFAOYSA-N

CS(=O)=O

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 3

Downstream Successor

HSBSUGYTMJWPAX-UHFFFAOYSA-N

2-Hexenedioic acid

OC(=O)CCC=CC(O)=O

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 1

Downstream Successor

WWFLHYZRRCCDDW-UHFFFAOYSA-N

8-hydroxydibenzo[b,f]thiepin-10(11H)-one

OC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 3

Downstream Successor

JITBAPYGRQJMNK-UHFFFAOYSA-N

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

Precursor

HMKRTOHEGDSUDE-UHFFFAOYSA-N

3-methylsulfanyl-6H-benzo[b][1]benzothiepin-5-one

CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O

Depth 1

Downstream Successor

LSQOALSAOYKPDG-UHFFFAOYSA-N

C1(Cc2ccc(cc2Sc3c1cc(cc3)SC)O)=O

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

No Original Precursors

No entries were found for this section with the current query and depth.

No Dead-Ends

No entries were found for this section with the current query and depth.

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