SynthArenav0.3.0
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  5. AiZynthFinder Retro* (High) on ref-cnv-400
AiZynthFinder Retro* (High)
Benchmark
ref-cnv-400
Total Routes
6056
Executed
December 3rd, 2025
Duration
1024.8 min
Total Cost
$3.05
Acceptable Routes
Available
Target 1 of 400
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
94.0%5.8%9.5%9.8%11.3%12.5%15.3%17.0%18.3%18.3%18.3%18.3%18.3%

n = 400 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%17.0%25.0%25.0%26.0%27.0%35.0%39.0%41.0%41.0%41.0%41.0%41.0%100
395.0%2.0%6.0%6.0%8.0%11.0%12.0%15.0%16.0%16.0%16.0%16.0%16.0%100
490.0%4.0%6.0%6.0%8.0%9.0%11.0%11.0%12.0%12.0%12.0%12.0%12.0%100
592.0%0.0%1.0%2.0%3.0%3.0%3.0%3.0%4.0%4.0%4.0%4.0%4.0%100

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

n5-00045

4 stepsConvergentHas Acceptable Routes

SMILES

OC(COc1cccc(-c2ccc3ncn(Cc4ccccc4)c3c2)c1)CN1CCc2ccccc2C1

InChiKey

QRPLRPXUJNDKKA-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 2 steps • Convergent
Solved
Solvability evaluated against: n5 Stock
View:
Single route available
Navigate through predictions
Rank:
Rank 1 of 11
React Flow
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Hash: f7913e41688305f092611731c96b732845816c0370a6567175725e61ebd1fa07