SynthArenav0.5.0
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From isChemist

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  5. SynPlanner MCTS Val on mkt-lin-500
Target 1 of 500

SynPlanner MCTS Valonmkt-lin-500

Part of the SynPlanner algorithm family
Community
31,206
Routes Found
169.1 min
Total Duration
$0.50
Cost
Aug 4, 2026
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
Tier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100
73.8%72.8%13.2%17.2%19.2%21.4%22.6%25.0%25.6%

n = 500 targets

Metrics by Benchmark Stratum
Target-level performance using RetroCast's exact reported strata.
StratumTier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100n
depth 286.0%86.0%34.0%45.0%50.0%53.0%55.0%56.0%56.0%100
depth 391.0%90.0%18.0%24.0%28.0%32.0%34.0%40.0%43.0%100
depth 479.0%77.0%8.0%9.0%9.0%12.0%13.0%15.0%15.0%100
depth 564.0%63.0%6.0%7.0%8.0%9.0%10.0%12.0%12.0%100
depth 649.0%48.0%0.0%1.0%1.0%1.0%1.0%2.0%2.0%100

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

n5-00022

6 stepsLinearHas Acceptable Routes

SMILES

COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C

InChiKey

HMTKDIMDUAJTBJ-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 2 steps • Convergent
View:
Tier-0 validSolv-0[buyables-stock] pass
/ 26
smiles
COc1c(N2CCN(C(=O)COC(C)=O)CC2)cc(Br)cc1C(C)(C)C
inchikey
HMTKDIMDUAJTBJ-UHFFFAOYSA-N
smiles
CC(=O)OCC(=O)N1CCNCC1
inchikey
VQGZGZWQLKGHEZ-UHFFFAOYSA-N
smiles
CC(C)(C)OC(=O)N1CCNCC1
inchikey
CWXPZXBSDSIRCS-UHFFFAOYSA-N
buyable information
vendorMcule
price$0.23/g
lead time7-21days
vendor page
Mcule$0.23/g
smiles
CC(=O)OCC(=O)Cl
inchikey
HZDNNJABYXNPPV-UHFFFAOYSA-N
buyable information
vendorLabNetwork
price$1.0/g
LabNet$1.0/g
smiles
COc1c(Br)cc(Br)cc1C(C)(C)C
inchikey
ZTRFVAHXBMLDCG-UHFFFAOYSA-N
smiles
CI
inchikey
INQOMBQAUSQDDS-UHFFFAOYSA-N
buyable information
vendorSigma-Aldrich
price$1.0/g
vendor page
SigmAld$1.0/g
smiles
CC(C)(C)c1cc(Br)cc(Br)c1O
inchikey
KSURDFVRHGKTAA-UHFFFAOYSA-N
buyable information
vendorMcule
price$125/g
lead time7-21days
vendor page
Mcule$125/g
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