Retrosynthesis Target Catalog
Common laboratory and building-block molecules as AI retrosynthesis targets. Open a page for SMILES, CAS, and a one-click planner link.
Browse
All 2938
Showing 1–80 of 110 · letter A · page 1/2
| Target | CAS | Formula | Slug |
|---|---|---|---|
| Abbott 31699 | 23567-67-1 | C7H6N4OS | abbott-31699 |
| Accelerine | 138-89-6 | C8H10N2O | accelerine |
| acetaldehyde | 75-07-0 | C2H4O | acetaldehyde |
| Acetaldehyde di-isobutylacetal | 5669-09-0 | C10H22O2 | acetaldehyde-di-isobutylacetal |
| acetamide | 60-35-5 | C2H5NO | acetamide |
| acetaminophen | 103-90-2 | C8H9NO2 | acetaminophen |
| acetazolamide | 59-66-5 | C4H6N4O3S2 | acetazolamide |
| Acethydrazide | 1068-57-1 | C2H6N2O | acethydrazide |
| Acetic Acid | 64-19-7 | C2H4O2 | acetic-acid |
| Acetic thioanhydride | 3232-39-1 | C4H6O2S | acetic-thioanhydride |
| Acetoacetanilide | 102-01-2 | C10H11NO2 | acetoacetanilide |
| Acetoguanamine | 542-02-9 | C4H7N5 | acetoguanamine |
| Acetone | 67-64-1 | C3H6O | acetone |
| Acetone Cyanohydrin | 75-86-5 | C4H7NO | acetone-cyanohydrin |
| Acetone diethyl ketal | 126-84-1 | C7H16O2 | acetone-diethyl-ketal |
| Acetone dimethyl acetal | 77-76-9 | C5H12O2 | acetone-dimethyl-acetal |
| Acetonitrile | 75-05-8 | C2H3N | acetonitrile |
| Acetonylacetone | 110-13-4 | C6H10O2 | acetonylacetone |
| Acetophenone | 98-86-2 | C8H8O | acetophenone |
| Acetopiperone | 3162-29-6 | C9H8O3 | acetopiperone |
| Acetosyringone | 2478-38-8 | C10H12O4 | acetosyringone |
| Acetovanillone | 498-02-2 | C9H10O3 | acetovanillone |
| Acetrizoic acid | 85-36-9 | C9H6I3NO3 | acetrizoic-acid |
| Acetyl Iodide | 507-02-8 | C2H3IO | acetyl-iodide |
| acetyl phosphate | 590-54-5 | C2H5O5P | acetyl-phosphate |
| Acetylacetaldehyde dimethyl acetal | 5436-21-5 | C6H12O3 | acetylacetaldehyde-dimethyl-acetal |
| acetylcholine | 51-84-3 | C7H16NO2+ | acetylcholine |
| Acetylene tetrabromide | 79-27-6 | C2H2Br4 | acetylene-tetrabromide |
| Acetylsalicylic acid methyl ester | 580-02-9 | C10H10O4 | acetylsalicylic-acid-methyl-ester |
| Acrasin | 85187-54-8 | C10H12N5O6P | acrasin |
| Acrolein | 107-02-8 | C3H4O | acrolein |
| Acrylamide | 79-06-1 | C3H5NO | acrylamide |
| Acrylic Acid | 79-10-7 | C3H4O2 | acrylic-acid |
| adamantyl isothiocyanate | 4411-26-1 | C11H15NS | adamantyl-isothiocyanate |
| adenine | 73-24-5 | C5H5N5 | adenine |
| Adipamide | 628-94-4 | C6H12N2O2 | adipamide |
| Adipate(2-) | 764-65-8 | C6H8O4-2 | adipate2 |
| adipic acid | 124-04-9 | C6H10O4 | adipic-acid |
| Adipic dihydrazide | 1071-93-8 | C6H14N4O2 | adipic-dihydrazide |
| Adiponitrile | 111-69-3 | C6H8N2 | adiponitrile |
| Adipoyl chloride | 111-50-2 | C6H8Cl2O2 | adipoyl-chloride |
| agmatine | 306-60-5 | C5H14N4 | agmatine |
| Ai3-13217 | 3710-31-4 | C7H16O2 | ai3-13217 |
| Ai3-15678 | 6976-91-6 | C6H11NO | ai3-15678 |
| Ai3-18203 | 1871-89-2 | C6H12N2O4 | ai3-18203 |
| Ai3-24752 | 3749-36-8 | C6H10O2 | ai3-24752 |
| Ai3-26637 | 111-74-0 | C6H16N2 | ai3-26637 |
| Ai3-32424 | 932-17-2 | C6H9NO2 | ai3-32424 |
| Ai3-52252 | 367-34-0 | C6H4F3N | ai3-52252 |
| Ai3-62580 | 5402-73-3 | C6H3Cl3O2S | ai3-62580 |
| Ai3-62833 | 367-27-1 | C6H4F2O | ai3-62833 |
| allantoin | 97-59-6 | C4H6N4O3 | allantoin |
| Allergosil | 110-04-3 | C2H6O6S2 | allergosil |
| Allobarbital | 52-43-7 | C10H12N2O3 | allobarbital |
| Allyl acetate | 591-87-7 | C5H8O2 | allyl-acetate |
| Allyl Alcohol | 107-18-6 | C3H6O | allyl-alcohol |
| Allyl Bromide | 106-95-6 | C3H5Br | allyl-bromide |
| Allyl butyrate | 2051-78-7 | C7H12O2 | allyl-butyrate |
| Allyl chloroacetate | 2916-14-5 | C5H7ClO2 | allyl-chloroacetate |
| Allyl Chloroformate | 2937-50-0 | C4H5ClO2 | allyl-chloroformate |
| Allyl cyclohexyloxyacetate | 68901-15-5 | C11H18O3 | allyl-cyclohexyloxyacetate |
| Allyl Ethyl Carbonate | 1469-70-1 | C6H10O3 | allyl-ethyl-carbonate |
| Allyl Formate | 1838-59-1 | C4H6O2 | allyl-formate |
| Allyl Glycidyl Ether | 106-92-3 | C6H10O2 | allyl-glycidyl-ether |
| Allyl hexanoate | 123-68-2 | C9H16O2 | allyl-hexanoate |
| Allyl Iodide | 556-56-9 | C3H5I | allyl-iodide |
| Allyl isonicotinate | 25635-24-9 | C9H9NO2 | allyl-isonicotinate |
| Allyl Mercaptan | 870-23-5 | C3H6S | allyl-mercaptan |
| Allyl methyl carbonate | 35466-83-2 | C5H8O3 | allyl-methyl-carbonate |
| Allyl phenyl sulfone | 16212-05-8 | C9H10O2S | allyl-phenyl-sulfone |
| Allylcyclohexane | 2114-42-3 | C9H16 | allylcyclohexane |
| Allyltriethoxysilane | 2550-04-1 | C9H20O3Si | allyltriethoxysilane |
| Allylurea | 557-11-9 | C4H8N2O | allylurea |
| alpha-Butylene dibromide | 533-98-2 | C4H8Br2 | alpha-butylene-dibromide |
| alpha-D-glucosamine | 6490-70-6 | C6H13NO5 | alpha-d-glucosamine |
| alpha-D-Methylglucoside | 688007-20-7 | C7H14O6 | alpha-d-methylglucoside |
| alpha-Hexyl-gamma-butyrolactone | 18436-37-8 | C10H18O2 | alpha-hexyl-gamma-butyrolactone |
| alpha-Hydroxyhippuric acid | 16555-77-4 | C9H9NO4 | alpha-hydroxyhippuric-acid |
| alpha-Methylbenzyl isocyanate | 1837-73-6 | C9H9NO | alpha-methylbenzyl-isocyanate |
| alpha-Methylstyrene | 98-83-9 | C9H10 | alpha-methylstyrene |
References & tools
- ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.