Network Analysis (OP, DE, AP, SU)

Graphs show a maximum of 100 compounds. Download CSV for complete results.

Previewing top 0 entries

No Original Precursors

No direct upstream reaction pathways or precursors were found for this compound in our database.

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

WCJLIWFWHPOTAC-UHFFFAOYSA-N

c1(c(c(=O)c(c(c1=O)O)O)=O)=O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

YPOPNBBFFROUGR-UHFFFAOYSA-N

C(CC=C(O)O)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

RBBOAWUPWQANPY-UHFFFAOYSA-N

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

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

BPBNXUMUQRQKMR-UHFFFAOYSA-N

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

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

XEDSRSOTDZKLMT-UHFFFAOYSA-N

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

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

BDAGIHXWWSANSR-UHFFFAOYSA-N

OC=O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

ATRULDXOZAITDR-ARJAWSKDSA-N

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

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

HJEBWCDVXVPBRC-UHFFFAOYSA-N

C(=C(C(=C(O)C(=O)O)O)O)([N+](=O)[O-])C(O)=O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

FUBIOTBKQATYKB-UHFFFAOYSA-N

C1C(C(=O)C(=C(C1=O)O)O)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

dead-end

Dead-End Product

OKKJLVBELUTLKV-UHFFFAOYSA-N

Download full Dead-Ends list.

DE CSV

Upstream Precursor

JIZXQASPIJSCLH-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)NO)C#N

depth 1

Product

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

Upstream Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 2

Product

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

Upstream Precursor

BQCWLXXZTCLGSZ-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])C#N

depth 3

Product

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

Upstream Precursor

KSHZGPBZHJTNEM-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N=O)C#N

depth 2

Product

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

Upstream Precursor

UOBWUNOSKIEEJY-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N(O)O)C#N

depth 3

Product

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

Download full All Precursors list (Depth 3).

AP CSV

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 1

Downstream Successor

NQTLZJODEOHALT-UHFFFAOYSA-N

Nc1c(ccc(c1)C(F)(F)F)C(O)=O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 2

Downstream Successor

ZEPQADKJIBNOFI-UHFFFAOYSA-N

C1(=C(C(=C(C=C1C(F)(F)F)N)C(=O)O)O)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

LBCRJAITEZWYFH-UHFFFAOYSA-N

C1(=C(C=C(C=C1O)N)C(F)(F)F)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

DWZTZSMVMAEBNB-UHFFFAOYSA-N

C1(=C(C(=CC(=C1O)N)C(F)(F)F)O)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

WFZVTNITSSRCHD-UHFFFAOYSA-N

C1(=C(C(=C(C=C1C(F)(F)F)O)C(=O)O)O)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

XEORLUPQUHNXNA-UHFFFAOYSA-N

OC(=O)C1=C(C=C(C(=C1O)O)C(=O)O)N

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

XPDWGBQVDMORPB-UHFFFAOYSA-N

C(F)(F)F

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

MZNZAXOBSGXLAS-UHFFFAOYSA-N

C1(=C(C(=C(C(=C1C(F)(F)F)O)N)C(=O)O)O)O

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

VHZJRSQJMRBIFR-UHFFFAOYSA-N

C=1(C(C(=C(O)C(C1C(=O)O)=O)C(F)(F)F)=O)N

Precursor

IAIRNHIXDCZUCV-UHFFFAOYSA-N

C1=CC(=C(C=C1C(F)(F)F)N)C#N

depth 3

Downstream Successor

YGPMLNCKMNWFBG-UHFFFAOYSA-N

C(=C(C(=C(O)C(O)=O)C(=O)O)N)C(=O)O

Download full Successors list (Depth 3).

SU CSV

Network Analysis

Search for compounds

Example search 2-Amino-4-(trifluoromethyl)benzonitrile IAIRNHIXDCZUCV-UHFFFAOYSA-N

Search by:

InChIKey

SMILES

InChI

Depth

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One InChIKey / SMILES / InChI per line

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InChI

Depth

Tips

Four-in-One Analysis

Multi-directional

Find Original Precursors, Dead-Ends, All Precursors (upstream) and Successors (downstream) at once.

Depth control

Depth parameter strictly limits how far the algorithm traverses in the graph network.