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Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
5 steps
Depiction
Dead-End Product
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
7 steps
Depiction
Dead-End Product
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
5 steps
Depiction
Dead-End Product
Nitromethane
C[N+](=O)[O-]
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
7 steps
Depiction
Dead-End Product
C(C(=O)O)=[N+](CC(=O)O)[O-]
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
6 steps
Depiction
Dead-End Product
OC(=O)CS(=O)=O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
6 steps
Depiction
Dead-End Product
2-hydroxy-N-methyl-2-oxoethanimine oxide
C(=O)(C=[N+](C)[O-])O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
6 steps
Depiction
Dead-End Product
C(=O)(C[N+](=C)[O-])O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
7 steps
Depiction
Dead-End Product
OCCS(=O)=O
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)S(CCS3=O)=O
Depth 2
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3=O
Depth 1
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)S(CCS3)=O
Depth 1
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)[S+](C…
Depth 3
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)S(CC[S…
Depth 3
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)[S+](CCS3)Cl
Depth 2
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCC[S+]3Cl
Depth 2
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3(=O)=O
Depth 2
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Upstream Precursor
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)S(CCS3…
Depth 2
Depiction
Product
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 2
Depiction
Downstream Successor
Piperazine
C1CNCCN1
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 1
Depiction
Downstream Successor
1-Methylpiperazin-4-ium
C[NH+]1CCNCC1
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 3
Depiction
Downstream Successor
2-((2-Aminoethyl)amino)acetaldehyde
C(CN)NCC=O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 3
Depiction
Downstream Successor
2-(Methylamino)acetaldehyde
O=CCNC
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 3
Depiction
Downstream Successor
4-Hydroxypiperazine
N1(CCNCC1)O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 2
Depiction
Downstream Successor
1-Methylpiperazine 1-oxide
N1CC[N+](CC1)(C)[O-]
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 2
Depiction
Downstream Successor
C[N+]1(CCNCC1)Cl
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 3
Depiction
Downstream Successor
1,2-Ethanedithiol
SCCS
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 2
Depiction
Downstream Successor
2-[2-(Methylamino)ethylamino]acetaldehyde
CNCCNCC=O
Depiction
Precursor
6-(5-Chloro-1,8-naphthyridin-2-yl)-2,3,6,7-tetrahydro-7-oxo-5H-1,4-dithiino(2,3-c)pyrrol-5-yl 4-methylpiperazine-1-carboxylate
CN1CCN(CC1)C(=O)OC2C3=C(C(=O)N2C4=NC5=NC=CC(=C5C=C4)Cl)SCCS3
Depth 2
Depiction
Downstream Successor
4-Methylpiperazin-1-ol
CN1CCN(CC1)O
No Original Precursors

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