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 161–240 of 559 · formula C1–C4 · page 3/7
| Target | CAS | Formula | Slug |
|---|---|---|---|
| 5-Aminoisoxazole | 14678-05-8 | C3H4N2O | 5-aminoisoxazole |
| 5-Azauracil | 71-33-0 | C3H3N3O2 | 5-azauracil |
| 5-Bromo-2-chloropyrimidine | 32779-36-5 | C4H2BrClN2 | 5-bromo-2-chloropyrimidine |
| 5-Bromo-2-pyrimidinone | 38353-06-9 | C4H3BrN2O | 5-bromo-2-pyrimidinone |
| 5-Chloromethyloxazolidin-2-one | 22625-57-6 | C4H6ClNO2 | 5-chloromethyloxazolidin-2-one |
| 5-Chlorothiophene-2-boronic acid | 162607-18-3 | C4H4BClO2S | 5-chlorothiophene-2-boronic-acid |
| 5-Mercapto-1-methyltetrazole | 13183-79-4 | C2H4N4S | 5-mercapto-1-methyltetrazole |
| 5-Methylhydantoin | 616-03-5 | C4H6N2O2 | 5-methylhydantoin |
| 5-Methylisoxazole | 5765-44-6 | C4H5NO | 5-methylisoxazole |
| 5-Nitropyrimidin-2-amine | 3073-77-6 | C4H4N4O2 | 5-nitropyrimidin-2-amine |
| 6-Aza-2-thiothymine | 615-76-9 | C4H5N3OS | 6-aza-2-thiothymine |
| 6-Azathymine | 932-53-6 | C4H5N3O2 | 6-azathymine |
| 6-Chlorouracil | 4270-27-3 | C4H3ClN2O2 | 6-chlorouracil |
| 6-hydroxypyrimidin-4(3H)-one | 1193-24-4 | C4H4N2O2 | 6-hydroxypyrimidin-43h-one |
| acetaldehyde | 75-07-0 | C2H4O | acetaldehyde |
| acetamide | 60-35-5 | C2H5NO | acetamide |
| 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 |
| Acetoguanamine | 542-02-9 | C4H7N5 | acetoguanamine |
| Acetone | 67-64-1 | C3H6O | acetone |
| Acetone Cyanohydrin | 75-86-5 | C4H7NO | acetone-cyanohydrin |
| Acetonitrile | 75-05-8 | C2H3N | acetonitrile |
| Acetyl Iodide | 507-02-8 | C2H3IO | acetyl-iodide |
| acetyl phosphate | 590-54-5 | C2H5O5P | acetyl-phosphate |
| Acetylene tetrabromide | 79-27-6 | C2H2Br4 | acetylene-tetrabromide |
| Acrolein | 107-02-8 | C3H4O | acrolein |
| Acrylamide | 79-06-1 | C3H5NO | acrylamide |
| Acrylic Acid | 79-10-7 | C3H4O2 | acrylic-acid |
| allantoin | 97-59-6 | C4H6N4O3 | allantoin |
| Allergosil | 110-04-3 | C2H6O6S2 | allergosil |
| Allyl Alcohol | 107-18-6 | C3H6O | allyl-alcohol |
| Allyl Bromide | 106-95-6 | C3H5Br | allyl-bromide |
| Allyl Chloroformate | 2937-50-0 | C4H5ClO2 | allyl-chloroformate |
| Allyl Formate | 1838-59-1 | C4H6O2 | allyl-formate |
| Allyl Iodide | 556-56-9 | C3H5I | allyl-iodide |
| Allyl Mercaptan | 870-23-5 | C3H6S | allyl-mercaptan |
| Allylurea | 557-11-9 | C4H8N2O | allylurea |
| alpha-Butylene dibromide | 533-98-2 | C4H8Br2 | alpha-butylene-dibromide |
| Aminoacetaldehyde dimethyl acetal | 22483-09-6 | C4H11NO2 | aminoacetaldehyde-dimethyl-acetal |
| aminopyridazine | 5469-70-5 | C4H5N3 | aminopyridazine |
| Aminothiadiazole | 4005-51-0 | C2H3N3S | aminothiadiazole |
| Barbituric Acid | 67-52-7 | C4H4N2O3 | barbituric-acid |
| beta-alanine | 107-95-9 | C3H7NO2 | beta-alanine |
| beta-Butyrolactone | 3068-88-0 | C4H6O2 | beta-butyrolactone |
| beta-Dichlorohydrin | 616-23-9 | C3H6Cl2O | beta-dichlorohydrin |
| Bis(2-Chloroethyl) Ether | 111-44-4 | C4H8Cl2O | bis2-chloroethyl-ether |
| Bis(2-mercaptoethyl) sulfide | 3570-55-6 | C4H10S3 | bis2-mercaptoethyl-sulfide |
| Bis(2-trichloroethyl) chlorophosphonate | 17672-53-6 | C4H4Cl7O3P | bis2-trichloroethyl-chlorophosphonate |
| Bis(chloromethyl) sulfide | 3592-44-7 | C2H4Cl2S | bischloromethyl-sulfide |
| Bis(chloromethyl)dimethylsilane | 2917-46-6 | C4H10Cl2Si | bischloromethyldimethylsilane |
| Bis(methylthio)methane | 1618-26-4 | C3H8S2 | bismethylthiomethane |
| Bromoacetic Acid | 79-08-3 | C2H3BrO2 | bromoacetic-acid |
| Bromoacetyl bromide | 598-21-0 | C2H2Br2O | bromoacetyl-bromide |
| Bromoacetyl chloride | 22118-09-8 | C2H2BrClO | bromoacetyl-chloride |
| Bromocyclopropane | 4333-56-6 | C3H5Br | bromocyclopropane |
| Bromoethane | 74-96-4 | C2H5Br | bromoethane |
| Bromosuccinic acid | 923-06-8 | C4H5BrO4 | bromosuccinic-acid |
| But-2-ynal | 1119-19-3 | C4H4O | but-2-ynal |
| Butyl nitrite | 544-16-1 | C4H9NO2 | butyl-nitrite |
| Butylamine | 109-73-9 | C4H11N | butylamine |
| butyraldehyde | 123-72-8 | C4H8O | butyraldehyde |
| Butyramide | 541-35-5 | C4H9NO | butyramide |
| butyrate | 461-55-2 | C4H7O2- | butyrate |
| Butyric Acid | 107-92-6 | C4H8O2 | butyric-acid |
| cacodylic acid | 75-60-5 | C2H7AsO2 | cacodylic-acid |
| Caswell No. 287B | 4554-16-9 | C3H3Br2N | caswell-no-287b |
| Caswell No. 561 | 1729-67-5 | C4H6Br2O2 | caswell-no-561 |
| Chloral | 75-87-6 | C2HCl3O | chloral |
| Chloro(chloromethyl)dimethylsilane | 1719-57-9 | C3H8Cl2Si | chlorochloromethyldimethylsilane |
| Chloroacetaldehyde dimethyl acetal | 97-97-2 | C4H9ClO2 | chloroacetaldehyde-dimethyl-acetal |
| chloroacetic acid | 79-11-8 | C2H3ClO2 | chloroacetic-acid |
| Chloroacetic anhydride | 541-88-8 | C4H4Cl2O3 | chloroacetic-anhydride |
| Chloroacetone | 78-95-5 | C3H5ClO | chloroacetone |
| Chlorobutanol | 57-15-8 | C4H7Cl3O | chlorobutanol |
| Chloroethylene carbonate | 3967-54-2 | C3H3ClO3 | chloroethylene-carbonate |
| Chloroform | 67-66-3 | CHCl3 | chloroform |
| Chloromaleic acid anhydride | 96-02-6 | C4HClO3 | chloromaleic-acid-anhydride |
| Chloromethane | 74-87-3 | CH3Cl | chloromethane |
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.