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Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
9 steps
Depiction
Dead-End Product
OKKJLVBELUTLKV-UHFFFAOYSA-N
Methanol
CO
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
3 steps
Depiction
Dead-End Product
BDAGIHXWWSANSR-UHFFFAOYSA-N
Formic Acid
OC=O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
7 steps
Depiction
Dead-End Product
BVKZGUZCCUSVTD-UHFFFAOYSA-N
Carbonic Acid
C(=O)(O)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
4 steps
Depiction
Dead-End Product
MUBZPKHOEPUJKR-UHFFFAOYSA-N
Oxalic Acid
C(=O)(C(O)=O)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
9 steps
Depiction
Dead-End Product
CKFGINPQOCXMAZ-UHFFFAOYSA-N
Methanediol
C(O)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
9 steps
Depiction
Dead-End Product
VNWKTOKETHGBQD-UHFFFAOYSA-N
Methane
C
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
9 steps
Depiction
Dead-End Product
HEPCJCVNHBXRBO-UHFFFAOYSA-N
Succinyl-carboxylic acid
C(CCC(=O)C(=O)O)(=O)C(O)=O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
18 steps
Depiction
Dead-End Product
LJDZFAPLPVPTBD-UHFFFAOYSA-M
CID 22568690
C([N+](=O)[O-])([O-])=O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
11 steps
Depiction
Dead-End Product
WCJLIWFWHPOTAC-UHFFFAOYSA-N
Rhodizonic acid
c1(c(c(=O)c(c(c1=O)O)O)=O)=O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
11 steps
Depiction
Dead-End Product
HJEBWCDVXVPBRC-UHFFFAOYSA-N
C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O

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Depiction
Upstream Precursor
FJBGPSYFLHKFKZ-UHFFFAOYSA-N
Itraconazole Impurity 34
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)[N+]3(CCN(CC3)C4=CC=C(C=C4)O…
Depth 1
Depiction
Product
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depiction
Upstream Precursor
KEWAMRKCTQWABT-UHFFFAOYSA-N
Itraconazole Impurity 48
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[N+](CC3)(C4=CC=C(C=C4)O…
Depth 1
Depiction
Product
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depiction
Upstream Precursor
WBOXWULGQATEAI-UHFFFAOYSA-N
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)[N+]3(CC[N+](CC3)(C4=CC=C(C=…
Depth 2
Depiction
Product
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…

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

Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 2
Depiction
Downstream Successor
ZWEHNKRNPOVVGH-UHFFFAOYSA-N
Methyl Ethyl Ketone
CC(=O)CC
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 1
Depiction
Downstream Successor
BTANRVKWQNVYAZ-UHFFFAOYSA-N
(+-)-2-Butanol
C(C)C(C)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 3
Depiction
Downstream Successor
GPEOAEVZTOQXLG-UHFFFAOYSA-O
4-Piperazin-4-ium-1-ylphenol
C1C[NH+](CCN1)C2=CC=C(C=C2)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 3
Depiction
Downstream Successor
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
4-Hydroxy-2-Butanone
C(CC(C)=O)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 3
Depiction
Downstream Successor
ROWKJAVDOGWPAT-UHFFFAOYSA-N
Acetoin
C(C)(C(C)O)=O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 3
Depiction
Downstream Successor
AALRHBLMAVGWRR-UHFFFAOYSA-N
Chloromethyl ethyl ketone
CCC(CCl)=O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 1
Depiction
Downstream Successor
NKUOWQPBYUKRIM-UHFFFAOYSA-N
[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol
C1C(OC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)CO
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 3
Depiction
Downstream Successor
AAYHRHVETBUYPK-UHFFFAOYSA-N
N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC(=C(C=C4)O)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 1
Depiction
Downstream Successor
FFAQILVGBAELHN-UHFFFAOYSA-O
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O
Depiction
Precursor
VHVPQPYKVGDNFY-UHFFFAOYSA-O
2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ium-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CC[NH+](CC3)C4=CC=C(C=C4)O…
Depth 2
Depiction
Downstream Successor
SROLAUXVBLEXLH-UHFFFAOYSA-N
2,4-Dihydro-4-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]-3H-1,2,4-triazol-3-one
N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O

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

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