SynthArenav0.4.1
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From isChemist

Essays and software that make better scientific questions possible.

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  5. Retro* (High) on ref-lin-600
Target 1 of 600

Retro* (High)onref-lin-600

Part of the Retro* algorithm family
Verified
587
Routes Found
34.6 min
Total Duration
$0.10
Cost
Dec 2, 2025
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
SolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000
97.8%25.8%25.8%25.8%25.8%25.8%25.8%25.8%25.8%25.8%25.8%25.8%25.8%

n = 600 targets

Metrics by Route Length
Performance breakdown by acceptable route length.
LengthSolvabilityTop-1Top-2Top-3Top-4Top-5Top-10Top-20Top-50Top-100Top-500Top-1000Top-10000n
299.0%48.0%48.0%48.0%48.0%48.0%48.0%48.0%48.0%48.0%48.0%48.0%48.0%100
3100.0%37.0%37.0%37.0%37.0%37.0%37.0%37.0%37.0%37.0%37.0%37.0%37.0%100
498.0%23.0%23.0%23.0%23.0%23.0%23.0%23.0%23.0%23.0%23.0%23.0%23.0%100
597.0%21.0%21.0%21.0%21.0%21.0%21.0%21.0%21.0%21.0%21.0%21.0%21.0%100
698.0%14.0%14.0%14.0%14.0%14.0%14.0%14.0%14.0%14.0%14.0%14.0%14.0%100
795.0%12.0%12.0%12.0%12.0%12.0%12.0%12.0%12.0%12.0%12.0%12.0%12.0%100

Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).

n5-00015

7 stepsLinearHas Acceptable Routes

SMILES

c1ccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)cc1

InChiKey

GMOSJDXQORTJOO-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 6 steps • Convergent
View:
Stock-Terminated
smiles
c1ccc(-c2cc3cc(-c4ccncn4)c(-c4ccco4)nc3[nH]2)cc1
inchikey
GMOSJDXQORTJOO-UHFFFAOYSA-N
smiles
Nc1nc(-c2ccco2)c(-c2ccncn2)cc1C#Cc1ccccc1
inchikey
IECLUNHLAHRITK-UHFFFAOYSA-N
smiles
C#Cc1ccccc1
inchikey
UEXCJVNBTNXOEH-UHFFFAOYSA-N
in stock
smiles
Nc1nc(-c2ccco2)c(-c2ccncn2)cc1Br
inchikey
JGADJJZAXIBPDI-UHFFFAOYSA-N
smiles
Nc1ccc(-c2ccncn2)c(-c2ccco2)n1
inchikey
KHOBIMMEBWRRDE-UHFFFAOYSA-N
smiles
Clc1ccc(-c2ccncn2)c(-c2ccco2)n1
inchikey
DLBVUVBROWXTJZ-UHFFFAOYSA-N
smiles
O=P(Cl)(Cl)Cl
inchikey
XHXFXVLFKHQFAL-UHFFFAOYSA-N
in stock
smiles
O=c1ccc(-c2ccncn2)c(-c2ccco2)[nH]1
inchikey
ZTBJTCIWNLKGNC-UHFFFAOYSA-N
smiles
N#Cc1cc(-c2ccncn2)c(-c2ccco2)[nH]c1=O
inchikey
STIHXOOJWFVYHP-UHFFFAOYSA-N
in stock
smiles
N
inchikey
QGZKDVFQNNGYKY-UHFFFAOYSA-N
in stock
smiles
O=C1CCC(=O)N1Br
inchikey
PCLIMKBDDGJMGD-UHFFFAOYSA-N
in stock
React Flow
Press enter or space to select a node. You can then use the arrow keys to move the node around. Press delete to remove it and escape to cancel.
Press enter or space to select an edge. You can then press delete to remove it or escape to cancel.
legend:in stockavailable molecule