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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Showing 401–480 of 559 · formula C1–C4 · page 6/7
| Target | CAS | Formula | Slug |
|---|---|---|---|
| malic acid | 6915-15-7 | C4H6O5 | malic-acid |
| malonic acid | 141-82-2 | C3H4O4 | malonic-acid |
| Malonic acid dihydrazide | 3815-86-9 | C3H8N4O2 | malonic-acid-dihydrazide |
| Malononitrile | 109-77-3 | C3H2N2 | malononitrile |
| mercaptoacetic acid | 68-11-1 | C2H4O2S | mercaptoacetic-acid |
| Mercaptosuccinic acid | 70-49-5 | C4H6O4S | mercaptosuccinic-acid |
| Mercaptotriazole | 3179-31-5 | C2H3N3S | mercaptotriazole |
| Methacrolein | 78-85-3 | C4H6O | methacrolein |
| Methacrylamide | 79-39-0 | C4H7NO | methacrylamide |
| Methacrylic Acid | 79-41-4 | C4H6O2 | methacrylic-acid |
| Methacrylonitrile | 126-98-7 | C4H5N | methacrylonitrile |
| Methacryloyl Chloride | 920-46-7 | C4H5ClO | methacryloyl-chloride |
| Methallyl Alcohol | 513-42-8 | C4H8O | methallyl-alcohol |
| Methanesulfinate | 43633-03-0 | CH3O2S- | methanesulfinate |
| Methanesulfonic Acid | 75-75-2 | CH4O3S | methanesulfonic-acid |
| methanethiol | 74-93-1 | CH4S | methanethiol |
| Methanol | 67-56-1 | CH4O | methanol |
| Methionol | 505-10-2 | C4H10OS | methionol |
| Methoxyacetone | 5878-19-3 | C4H8O2 | methoxyacetone |
| Methoxyacetonitrile | 1738-36-9 | C3H5NO | methoxyacetonitrile |
| Methyl (methylsulfinyl)methyl sulfide | 33577-16-1 | C3H8OS2 | methyl-methylsulfinylmethyl-sulfide |
| Methyl 2-bromoacrylate | 4519-46-4 | C4H5BrO2 | methyl-2-bromoacrylate |
| Methyl 2-Hydroxy-2-methoxyacetate | 19757-97-2 | C4H8O4 | methyl-2-hydroxy-2-methoxyacetate |
| Methyl 3-Mercaptopropionate | 2935-90-2 | C4H8O2S | methyl-3-mercaptopropionate |
| Methyl Acetate | 79-20-9 | C3H6O2 | methyl-acetate |
| Methyl Acrylate | 96-33-3 | C4H6O2 | methyl-acrylate |
| Methyl Carbamate | 598-55-0 | C2H5NO2 | methyl-carbamate |
| Methyl Chloroacetate | 96-34-4 | C3H5ClO2 | methyl-chloroacetate |
| Methyl chlorodifluoroacetate | 1514-87-0 | C3H3ClF2O2 | methyl-chlorodifluoroacetate |
| Methyl Chloroformate | 79-22-1 | C2H3ClO2 | methyl-chloroformate |
| Methyl Cyanoacetate | 105-34-0 | C4H5NO2 | methyl-cyanoacetate |
| Methyl Dichloroacetate | 116-54-1 | C3H4Cl2O2 | methyl-dichloroacetate |
| Methyl fluoroacetate | 453-18-9 | C3H5FO2 | methyl-fluoroacetate |
| Methyl Isothiocyanate | 556-61-6 | C2H3NS | methyl-isothiocyanate |
| Methyl methoxyacetate | 6290-49-9 | C4H8O3 | methyl-methoxyacetate |
| Methyl pentafluoropropionate | 378-75-6 | C4H3F5O2 | methyl-pentafluoropropionate |
| Methyl Pyruvate | 600-22-6 | C4H6O3 | methyl-pyruvate |
| Methyl Thioglycolate | 2365-48-2 | C3H6O2S | methyl-thioglycolate |
| Methyl Trifluoroacetate | 431-47-0 | C3H3F3O2 | methyl-trifluoroacetate |
| Methyl trifluoromethyl ketone | 421-50-1 | C3H3F3O | methyl-trifluoromethyl-ketone |
| Methyl Vinyl Ketone | 78-94-4 | C4H6O | methyl-vinyl-ketone |
| Methyl vinyl sulfone | 3680-02-2 | C3H6O2S | methyl-vinyl-sulfone |
| Methylchloroform | 71-55-6 | C2H3Cl3 | methylchloroform |
| Methylenediphosphonic acid | 1984-15-2 | CH6O6P2 | methylenediphosphonic-acid |
| Methylguanidineacetic acid | 82016-55-5 | C4H7N3O | methylguanidineacetic-acid |
| Methylhydrazine | 60-34-4 | CH6N2 | methylhydrazine |
| Methylmalonic acid | 516-05-2 | C4H6O4 | methylmalonic-acid |
| Methylsulfonylacetonitrile | 2274-42-2 | C3H5NO2S | methylsulfonylacetonitrile |
| Methyltrichlorosilane | 75-79-6 | CH3Cl3Si | methyltrichlorosilane |
| Methyltrimethoxysilane | 1185-55-3 | C4H12O3Si | methyltrimethoxysilane |
| Methylurea | 598-50-5 | C2H6N2O | methylurea |
| Monoglyme | 110-71-4 | C4H10O2 | monoglyme |
| N-(hydroxymethyl)acrylamide | 924-42-5 | C4H7NO2 | n-hydroxymethylacrylamide |
| N-Acetylglycinamide | 2620-63-5 | C4H8N2O2 | n-acetylglycinamide |
| N-Acetylglycine | 543-24-8 | C4H7NO3 | n-acetylglycine |
| N-Ethylglycine | 627-01-0 | C4H9NO2 | n-ethylglycine |
| N-Hydroxyurethane | 589-41-3 | C3H7NO3 | n-hydroxyurethane |
| N-Methoxy-N-methylacetamide | 78191-00-1 | C4H9NO2 | n-methoxy-n-methylacetamide |
| N-Methyl-N'-acetylurea | 623-59-6 | C4H8N2O2 | n-methyl-n-acetylurea |
| N-Methylethylenediamine | 109-81-9 | C3H10N2 | n-methylethylenediamine |
| N-Methylformamide | 123-39-7 | C2H5NO | n-methylformamide |
| N-Methylpropionamide | 1187-58-2 | C4H9NO | n-methylpropionamide |
| N-Methylthiourea | 598-52-7 | C2H6N2S | n-methylthiourea |
| N-Nitrosodimethylamine | 62-75-9 | C2H6N2O | n-nitrosodimethylamine |
| N,N-Dimethylformamide | 68-12-2 | C3H7NO | dimethylformamide |
| Naled (1,2-dibromo-2,2-dichloroethyl dimethyl phosphate) | 300-76-5 | C4H7Br2Cl2O4P | naled |
| Nitroethane | 79-24-3 | C2H5NO2 | nitroethane |
| Nitromethane | 75-52-5 | CH3NO2 | nitromethane |
| o-Dithiane | 505-20-4 | C4H8S2 | o-dithiane |
| O-Methylhydroxylamine | 67-62-9 | CH5NO | o-methylhydroxylamine |
| O-phosphonothreonine | 27530-80-9 | C4H10NO6P | o-phosphonothreonine |
| O-Phosphorylethanolamine | 1071-23-4 | C2H8NO4P | o-phosphorylethanolamine |
| Oxetane | 503-30-0 | C3H6O | oxetane |
| p-Dithiane | 505-29-3 | C4H8S2 | p-dithiane |
| Pentachloroethane | 76-01-7 | C2HCl5 | pentachloroethane |
| Perfluoro-tert-butyl alcohol | 2378-02-1 | C4HF9O | perfluoro-tert-butyl-alcohol |
| Phosphonoacetic acid | 4408-78-0 | C2H5O5P | phosphonoacetic-acid |
| piperazine | 110-85-0 | C4H10N2 | piperazine |
| Propanethioamide | 631-58-3 | C3H7NS | propanethioamide |
| Propargyl Alcohol | 107-19-7 | C3H4O | propargyl-alcohol |
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.