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.
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All 2938
Showing 1281–1360 of 2,938 · all targets · page 17/37
| Target | CAS | Formula | Slug |
|---|---|---|---|
| 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 |
| alpha-Pinene oxide | 1686-14-2 | C10H16O | alpha-pinene-oxide |
| alpha-Propylcyclohexanemethanol | 4352-42-5 | C10H20O | alpha-propylcyclohexanemethanol |
| alpha-TERPINEOL | 98-55-5 | C10H18O | alpha-terpineol |
| alpha-Thujone | 546-80-5 | C10H16O | alpha-thujone |
| Ametryn | 834-12-8 | C9H17N5S | ametryn |
| Aminoacetaldehyde diethyl acetal | 645-36-3 | C6H15NO2 | aminoacetaldehyde-diethyl-acetal |
| Aminoacetaldehyde dimethyl acetal | 22483-09-6 | C4H11NO2 | aminoacetaldehyde-dimethyl-acetal |
| Aminohydroquinone dimethyl ether | 102-56-7 | C8H11NO2 | aminohydroquinone-dimethyl-ether |
| aminopyridazine | 5469-70-5 | C4H5N3 | aminopyridazine |
| Aminothiadiazole | 4005-51-0 | C2H3N3S | aminothiadiazole |
| Amyl 2-methylvalerate | 6297-48-9 | C11H22O2 | amyl-2-methylvalerate |
| Amyl Acetoacetate | 6624-84-6 | C9H16O3 | amyl-acetoacetate |
| Amyl butyrate | 540-18-1 | C9H18O2 | amyl-butyrate |
| Amyl methyl sulfide | 1741-83-9 | C6H14S | amyl-methyl-sulfide |
| Amylamine | 110-58-7 | C5H13N | amylamine |
| an inositol | 87-89-8 | C6H12O6 | an-inositol |
| Aniline | 62-53-3 | C6H7N | aniline |
| Anisole | 100-66-3 | C7H8O | anisole |
| Antodyne | 538-43-2 | C9H12O3 | antodyne |
| Apronal | 528-92-7 | C9H16N2O2 | apronal |
| ArgoPore(TM)-MB-CHO | 613-45-6 | C9H10O3 | argoporetm-mb-cho |
| aspirin | 50-78-2 | C9H8O4 | aspirin |
| Asym-O-Xylenol | 95-65-8 | C8H10O | asym-o-xylenol |
| azelaic acid | 123-99-9 | C9H16O4 | azelaic-acid |
| azepan-2-one | 105-60-2 | C6H11NO | azepan-2-one |
| Azidobenzene | 622-37-7 | C6H5N3 | azidobenzene |
| Azinphos-methyl | 86-50-0 | C10H12N3O3PS2 | azinphos-methyl |
| Azobase DCA | 95-82-9 | C6H5Cl2N | azobase-dca |
| Azocane | 1121-92-2 | C7H15N | azocane |
| azulene | 275-51-4 | C10H8 | azulene |
| barbital | 57-44-3 | C8H12N2O3 | barbital |
| Barbituric Acid | 67-52-7 | C4H4N2O3 | barbituric-acid |
| bemegride | 64-65-3 | C8H13NO2 | bemegride |
| Bentazone | 25057-89-0 | C10H12N2O3S | bentazone |
| Benzal chloride | 98-87-3 | C7H6Cl2 | benzal-chloride |
| Benzaldehyde | 100-52-7 | C7H6O | benzaldehyde |
| Benzene | 71-43-2 | C6H6 | benzene |
| Benzene-m-disulphonate | 22713-46-8 | C6H4O6S2-2 | benzene-m-disulphonate |
| Benzenesulfonyl Chloride | 98-09-9 | C6H5ClO2S | benzenesulfonyl-chloride |
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.