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Depiction
Upstream Precursor
HQOCWPHRUQRXEC-UHFFFAOYSA-O
CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[NH+](CC4)CCCO
Depth 1
Depiction
Product
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
Depiction
Upstream Precursor
XREFTFGPHDKAPT-UHFFFAOYSA-N
CSC1=CC2=C(C=C1)S(C3=CC=CC=C3CC2N4CCN(CC4)CCCO)=O
Depth 2
Depiction
Product
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
Depiction
Upstream Precursor
VXYFICJBODGNEB-UHFFFAOYSA-N
C(CCN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)[S+](C)Cl)O
Depth 3
Depiction
Product
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
Depiction
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
Depiction
Product
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
Depiction
Upstream Precursor
CQQPJUZJGAAUMY-UHFFFAOYSA-N
C(CCN1CCN(CC1)C2CC3=CC=CC=C3[S+](C4=C2C=C(C=C4)SC)Cl)O
Depth 3
Depiction
Product
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
Depiction
Upstream Precursor
MGRFBKHNKDJHCC-UHFFFAOYSA-N
C(CCN1CC[N+](CC1)(C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC)[O-])O
Depth 2
Depiction
Product
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
Depiction
Upstream Precursor
WARRSOBQHUTGSP-UHFFFAOYSA-N
1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfinyl)dibenzo(b,f)thiepin-10-yl)-, S-oxide
CS(C1=CC2=C(C=C1)S(C3=CC=CC=C3CC2N4CCN(CC4)CCCO)=O)=O
Depth 3
Depiction
Product
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
Depiction
Upstream Precursor
OBNYDKZKNJJFKM-UHFFFAOYSA-N
3-[4-(3-Methylsulfonyl-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)=O
Depth 3
Depiction
Product
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
Depiction
Upstream Precursor
BDIHSOYTEMDQKD-UHFFFAOYSA-N
CSC1=CC2=C(C=C1)S(C3=CC=CC=C3CC2N4CC[N+](CC4)(CCCO)[O-])=O
Depth 1
Depiction
Product
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
Depiction
Upstream Precursor
IQSVSGWFJFZGTH-UHFFFAOYSA-N
CSC1=CC2=C(C=C1)S(C3=CC=CC=C3CC2N4CCN(CC4)CCCO)(=O)=O
Depth 3
Depiction
Product
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

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

Depiction
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 3
Depiction
Downstream Successor
TXXHDPDFNKHHGW-UHFFFAOYSA-N
2,4-Hexadienedioic acid, (2Z,4Z)-
C(C=CC=CC(=O)O)(O)=O
Depiction
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
Depiction
Downstream Successor
LSDPWZHWYPCBBB-UHFFFAOYSA-N
Methanethiol
CS
Depiction
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 3
Depiction
Downstream Successor
ALRHLSYJTWAHJZ-UHFFFAOYSA-N
3-Hydroxypropionic acid
C(CCO)(=O)O
Depiction
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 2
Depiction
Downstream Successor
AKXKFZDCRYJKTF-UHFFFAOYSA-N
Reuterin
C(CC=O)O
Depiction
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 2
Depiction
Downstream Successor
KDKGWGUUUVROTO-UHFFFAOYSA-N
4-Hydroxypiperazine
N1(CCNCC1)O
Depiction
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 2
Depiction
Downstream Successor
LWEOFVINMVZGAS-UHFFFAOYSA-O
C1C[NH+](CCN1)CCCO
Depiction
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 3
Depiction
Downstream Successor
MWQRMXBPLOTNKH-UHFFFAOYSA-N
1,2,3,6-Tetrahydropyrazine 4-oxide
C1CNCC=[N+]1[O-]
Depiction
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
Depiction
Downstream Successor
HQOCWPHRUQRXEC-UHFFFAOYSA-O
CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[NH+](CC4)CCCO
Depiction
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 2
Depiction
Downstream Successor
WWFLHYZRRCCDDW-UHFFFAOYSA-N
8-hydroxydibenzo[b,f]thiepin-10(11H)-one
OC1=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.

No Original Precursors

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

No Dead-Ends

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