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Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
5 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
5 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
11 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
7 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
11 steps
Depiction
Dead-End Product
RBBOAWUPWQANPY-UHFFFAOYSA-N
1,2,4-Butantriol Alkohol
C(CC(C(O)O)O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
11 steps
Depiction
Dead-End Product
YPOPNBBFFROUGR-UHFFFAOYSA-N
But-1-ene-1,1,4-triol
C(CC=C(O)O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
7 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O

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Depiction
Upstream Precursor
NAOFVOADMQLBQU-UHFFFAOYSA-N
CN1C2C3=C(CC[N+]2(C(=O)C4=CC=CC=C41)[O-])C5=CC=CC=C5N3
Depth 1
Depiction
Product
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depiction
Upstream Precursor
ADSKVQRNZPMHOO-UHFFFAOYSA-N
C[N+]1(C2C3=C(CC[N+]2(C(=O)C4=CC=CC=C41)[O-])C5=CC=CC=C5N3)[O-]
Depth 2
Depiction
Product
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depiction
Upstream Precursor
SIKRONCVDAHBLK-UHFFFAOYSA-N
C[N+]1(C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3)[O-]
Depth 1
Depiction
Product
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3

Previewing top 3 entries. If you want the full results, please use the download button above.

Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 2
Depiction
Downstream Successor
BAVYZALUXZFZLV-UHFFFAOYSA-N
Methylamine
NC
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 3
Depiction
Downstream Successor
JBEBGTMCZIGUTK-UHFFFAOYSA-N
2-Hydroxyhexa-2,4-diendioic acid
C(=CC=CC(=O)O)(C(O)=O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 3
Depiction
Downstream Successor
TXXHDPDFNKHHGW-UHFFFAOYSA-N
2,4-Hexadienedioic acid, (2Z,4Z)-
C(C=CC=CC(=O)O)(O)=O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 3
Depiction
Downstream Successor
RWZYAGGXGHYGMB-UHFFFAOYSA-N
Anthranilic Acid
OC(=O)C1=C(C=CC=C1)N
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 3
Depiction
Downstream Successor
GLDQAMYCGOIJDV-UHFFFAOYSA-N
2,3-Dihydroxybenzoic Acid
C1=CC(=C(C(=C1)C(O)=O)O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 3
Depiction
Downstream Successor
RZDMYSAEOBQMAG-UHFFFAOYSA-N
3-(Methylamino)benzene-1,2-diol
C1=C(C(=C(C=C1)NC)O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 2
Depiction
Downstream Successor
WVMBPWMAQDVZCM-UHFFFAOYSA-N
2-(Methylamino)benzoic acid
C(=O)(C1=CC=CC=C1NC)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 3
Depiction
Downstream Successor
QAHUPYFTLQBUKS-UHFFFAOYSA-N
4-Hydroxy-2-(methylamino)benzoic acid
CNC1=CC(=CC=C1C(=O)O)O
Depiction
Precursor
TXDUTHBFYKGSAH-UHFFFAOYSA-O
21-Methyl-3,13-diaza-21-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
C[NH+]1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
Depth 2
Depiction
Downstream Successor
FZHZQHNKCPJTNQ-UHFFFAOYSA-N
2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indol-1-one
C1(c2c(CCN1)c3ccccc3[nH]2)=O

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No Original Precursors

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