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AI-Powered Retrosynthesis Platform

Plan your next synthesis in seconds

Input any target molecule. Get AI-generated retrosynthetic routes, step-by-step protocols, and automated vendor sourcing — all in one platform.

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Sessions

Synthesis Sessions

Plan retrosynthesis, generate protocols, and source reagents

New Session
New Synthesis Session
Enter SMILES notation — e.g. CC(=O)Oc1ccccc1C(=O)O
RetroTransformer v2
Try:
Search sessions...
All Status
Retrosynthesis of Theophyllinecompleted
Cn1c2c(c(=O)n(c1=O)C)[nH]cn22 hours ago
4 routes
Retro: CCOC(c)cc(c)OCC(=O)Ocompleted
CCOC(c)cc(c)OCC(=O)O2 hours ago
3 routes
Retrosynthesis of Ibuprofencompleted
CC(C)Cc1ccc(cc1)C(C)C(=O)O3 hours ago
5 routes
Retro: DCC(=O)Oc1cccK(=O)=Orunning
DCC(=O)Oc1cccK(=O)=Oabout 3 hours ago
Retrosynthesis of Paracetamolcompleted
CC(=O)Nc1ccc(O)cc14 hours ago
3 routes
Aspirin Retrosynthesiscompleted
CC(=O)Oc1ccccc1C(=O)O5 hours ago
4 routes
Retrosynthesis of Caffeinecompleted
CN1C=NC2=C1C(=O)N(C(=O)N2C)C6 hours ago
6 routes

Used by research chemists & scientists at

Yale UniversityCaltechUniversidad Autónoma de ZacatecasAragen Life SciencesHexaSynth TechnologiesIFM Therapeutics1200 PharmaAin Shams UniversityBursa Technical UniversitySphaera PharmaUniversity of OxfordPiramal GroupUniversidad de Costa RicaJubilant BiosysUniversitas Jenderal SoedirmanUniversidade de LisboaUSTCKAISTYale UniversityCaltechUniversidad Autónoma de ZacatecasAragen Life SciencesHexaSynth TechnologiesIFM Therapeutics1200 PharmaAin Shams UniversityBursa Technical UniversitySphaera PharmaUniversity of OxfordPiramal GroupUniversidad de Costa RicaJubilant BiosysUniversitas Jenderal SoedirmanUniversidade de LisboaUSTCKAISTYale UniversityCaltechUniversidad Autónoma de ZacatecasAragen Life SciencesHexaSynth TechnologiesIFM Therapeutics1200 PharmaAin Shams UniversityBursa Technical UniversitySphaera PharmaUniversity of OxfordPiramal GroupUniversidad de Costa RicaJubilant BiosysUniversitas Jenderal SoedirmanUniversidade de LisboaUSTCKAISTYale UniversityCaltechUniversidad Autónoma de ZacatecasAragen Life SciencesHexaSynth TechnologiesIFM Therapeutics1200 PharmaAin Shams UniversityBursa Technical UniversitySphaera PharmaUniversity of OxfordPiramal GroupUniversidad de Costa RicaJubilant BiosysUniversitas Jenderal SoedirmanUniversidade de LisboaUSTCKAIST

Smarter tools,
faster synthesis.

Rasyn
Enter SMILES, name, or draw...
SMILES
CC(=O)Oc1ccccc1C(=O)O
AspirinC₉H₈O₄MW: 180.16
2D Structure
OOOOH

Research with precision

Enter a SMILES string, draw a structure, or search by name. Rasyn identifies the molecule and prepares it for retrosynthetic analysis instantly.

Retrosynthesis
Route 1/5 routes
94.2%
3 stepsLow hazard$42
Aspirin
Salicylic acid
+
Ac₂O
H₃PO₄
85 °C, 15 min
Step 1 Protocol

Dissolve 2.0 g salicylic acid in 5 mL acetic anhydride.

Add 5 drops H₃PO₄. Heat at 85 °C for 15 min...

AI plans the synthesis

Our hybrid model ensemble (RetroTransformer v2 + LLM v6) produces ranked multi-step routes with step-by-step protocols, scored by confidence, safety, and cost.

Reagent Sourcing
Vendors4 found
Sigma-Aldrich
A5376-100G$28.50
In Stock
Fisher Scientific
AC158180250$31.00
In Stock
TCI America
A0097$22.00
2-3 days
Alfa Aesar
A15716$26.80
In Stock
All reagents sourced
3 of 3 starting materials available

Source every reagent automatically

PubChem-powered vendor search finds every starting material with stock status across Sigma-Aldrich, Fisher, TCI, and more. One click to purchase.

New

Meet Arcade — your lab's
institutional memory.

Ask natural-language questions about every experiment, route, dataset, and protocol your team has ever run. Arcade searches your indexed records and answers with citations.

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Arcade

Ask questions about your experiments, routes, datasets, and lab history. Arcade searches your indexed records and answers with citations.

67 records indexedRe-index
Ask Arcade anything about your lab data...

Arcade searches your indexed lab records and answers with citations.

Features

Built for
real chemistry.

Model Ensemble
RetroTransformer v269.7% top-1
94.2%
87.1%
72.4%
RSGPT v6 LLM61.7% top-1
91.0%
84.3%
20x SMILES Augmentation
Canonical targets, randomized inputs
Copy/Pointer Mechanism
80% of atoms copied from product directly

Multi-model AI engine

RetroTransformer v2 (69.7% top-1) and RSGPT v6 LLM run in parallel with 20x SMILES augmentation and a copy/pointer mechanism. Complementary architectures maximize route coverage.

Protocol
Step 1 — Esterification
1

Weigh 2.0 g salicylic acid (14.5 mmol) into a 100 mL round-bottom flask.

2

Add 5 mL acetic anhydride and 5 drops conc. H₃PO₄.

3

Heat to 85 °C in water bath for 15 min.

CorrosiveFume hood85 °C
TLC Checkpoint
EtOAc:Hex 3:7 — Rf 0.45 (product)
Expected Yield
Based on literature precedent
85%

AI-generated protocols

Step-by-step experimental procedures with exact reagent quantities, temperatures, TLC checkpoints, safety warnings, and expected yields — ready to execute in the lab.

Audit Trail
Route generated
Dr. Chen|14:32:01
a3f8c1...
Protocol approved
Dr. Patel|14:45:18
7b2e4d...
E-signature applied
Dr. Patel|14:45:22
9c1fa2...
Export to ELN
Dr. Chen|15:01:07
d4e7b8...
Electronic Signature
21 CFR Part 11 compliant
Dr. Patel — Approved
Tamper-Evident Hash Chain
4 entries verified — chain intact

21 CFR Part 11 compliance

Hash-linked audit trail, electronic signatures, tamper-evident logging, and full traceability for GxP-regulated environments. Every action is recorded and verifiable.

Developer API

Integrate retrosynthesis
into your workflow.

A single API call returns ranked retrosynthetic routes, step-by-step protocols, and vendor sourcing data. Build retrosynthesis into your ELN, LIMS, or custom application.

Sub-secondp50 latency 420ms with beam width 10
RESTful JSONPython and JavaScript SDKs included
SecureAPI key auth with configurable rate limits
WebhooksAsync callbacks for long-running plans
api.rasyn.ai — API Playground
Connected
POST/v2/retro/plan
Authorization
Bearer rsk_live_a8f3...x9k2
Request Body

{

"smiles": "CC(=O)Oc1ccccc1C(=O)O",

"num_routes": 5,

"beam_width": 10,

"include_protocols": true

}

Response will appear here

Click "Send Request" to run

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Scientist using Rasyn on a laptop