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 1441–1520 of 1,613 · formula C5–C8 · page 19/21
| Target | CAS | Formula | Slug |
|---|---|---|---|
| Pyrazine-2-carboxylic acid | 98-97-5 | C5H4N2O2 | pyrazine-2-carboxylic-acid |
| Pyridine | 110-86-1 | C5H5N | pyridine |
| pyridoxal | 66-72-8 | C8H9NO3 | pyridoxal |
| pyridoxal phosphate | 54-47-7 | C8H10NO6P | pyridoxal-phosphate |
| pyridoxamine | 85-87-0 | C8H12N2O2 | pyridoxamine |
| pyridoxamine phosphate | 529-96-4 | C8H13N2O5P | pyridoxamine-phosphate |
| pyridoxine | 65-23-6 | C8H11NO3 | pyridoxine |
| pyrithione | 1121-30-8 | C5H5NOS | pyrithione |
| Pyrocatechol ethylene ether | 493-09-4 | C8H8O2 | pyrocatechol-ethylene-ether |
| Pyrrole-3-carboxaldehyde | 7126-39-8 | C5H5NO | pyrrole-3-carboxaldehyde |
| pyrrolidine-1-carbodithioate | 5108-96-3 | C5H8NS2- | pyrrolidine-1-carbodithioate |
| quinate | 7729-33-1 | C7H12O6 | quinate |
| quinolinic acid | 89-00-9 | C7H5NO4 | quinolinic-acid |
| RCRA waste number U082 | 87-65-0 | C6H4Cl2O | rcra-waste-number-u082 |
| resorcinol | 108-46-3 | C6H6O2 | resorcinol |
| roxarsone | 121-19-7 | C6H6AsNO6 | roxarsone |
| S-Acetylmercaptosuccinic anhydride | 6953-60-2 | C6H6O4S | s-acetylmercaptosuccinic-anhydride |
| S-Phenyl thioacetate | 934-87-2 | C8H8OS | s-phenyl-thioacetate |
| s-Tetrachlorobenzene | 95-94-3 | C6H2Cl4 | s-tetrachlorobenzene |
| s-Trichloroaniline | 634-93-5 | C6H4Cl3N | s-trichloroaniline |
| s-Trichlorobenzene | 108-70-3 | C6H3Cl3 | s-trichlorobenzene |
| Salicylhydroxamic acid | 89-73-6 | C7H7NO3 | salicylhydroxamic-acid |
| sec-Butyl Disulfide | 5943-30-6 | C8H18S2 | sec-butyl-disulfide |
| sec-Butyl ether | 6863-58-7 | C8H18O | sec-butyl-ether |
| Selenomethionine | 1464-42-2 | C5H11NO2Se | selenomethionine |
| Senecioic acid | 541-47-9 | C5H8O2 | senecioic-acid |
| Sit 8185 | 998-30-1 | C6H16O3Si | sit-8185 |
| Skikimic acid | 2306-23-2 | C7H10O5 | skikimic-acid |
| spermidine | 124-20-9 | C7H19N3 | spermidine |
| Styrene | 100-42-5 | C8H8 | styrene |
| Styrene oxide | 96-09-3 | C8H8O | styrene-oxide |
| Succinylnitrile | 63979-84-0 | C6H4N2O2 | succinylnitrile |
| sulfanilamide | 63-74-1 | C6H8N2O2S | sulfanilamide |
| Sulfanilic Acid | 121-57-3 | C6H7NO3S | sulfanilic-acid |
| Swep (methyl 3,4-dichlorocarbanilate) | 1918-18-9 | C8H7Cl2NO2 | swep |
| Sym-m-xylenol | 108-68-9 | C8H10O | sym-m-xylenol |
| TEMED (N,N,N',N'-tetramethylethylenediamine) | 110-18-9 | C6H16N2 | temed |
| Terephthalonitrile | 623-26-7 | C8H4N2 | terephthalonitrile |
| tert-Amylamine | 594-39-8 | C5H13N | tert-amylamine |
| tert-Butyl 2-bromopropanoate | 39149-80-9 | C7H13BrO2 | tert-butyl-2-bromopropanoate |
| tert-Butyl 3-butenoate | 14036-55-6 | C8H14O2 | tert-butyl-3-butenoate |
| tert-Butyl acrylate | 1663-39-4 | C7H12O2 | tert-butyl-acrylate |
| tert-Butyl bromoacetate | 5292-43-3 | C6H11BrO2 | tert-butyl-bromoacetate |
| tert-Butyl carbamate | 4248-19-5 | C5H11NO2 | tert-butyl-carbamate |
| tert-Butyl chloroacetate | 107-59-5 | C6H11ClO2 | tert-butyl-chloroacetate |
| tert-Butyl cyanoacetate | 1116-98-9 | C7H11NO2 | tert-butyl-cyanoacetate |
| tert-Butyl ethyl ether | 637-92-3 | C6H14O | tert-butyl-ethyl-ether |
| Tert-Butyl Isocyanate | 1609-86-5 | C5H9NO | tert-butyl-isocyanate |
| tert-Butyl methyl ether | 1634-04-4 | C5H12O | tert-butyl-methyl-ether |
| tert-Butyl N-(2-hydroxyethyl)carbamate | 26690-80-2 | C7H15NO3 | tert-butyl-n-2-hydroxyethylcarbamate |
| tert-Butyl N-(3-hydroxypropyl)carbamate | 58885-58-8 | C8H17NO3 | tert-butyl-n-3-hydroxypropylcarbamate |
| tert-Butyl sulfide | 107-47-1 | C8H18S | tert-butyl-sulfide |
| tert-Butyldiethanolamine | 2160-93-2 | C8H19NO2 | tert-butyldiethanolamine |
| tert-Octylamine | 107-45-9 | C8H19N | tert-octylamine |
| Tetrabromo-o-Cresol | 576-55-6 | C7H4Br4O | tetrabromo-o-cresol |
| Tetrachlorophenol | 4901-51-3 | C6H2Cl4O | tetrachlorophenol |
| Tetraethyl orthosilicate | 78-10-4 | C8H20O4Si | tetraethyl-orthosilicate |
| Tetraethylgermane | 597-63-7 | C8H20Ge | tetraethylgermane |
| Tetraethylsilane | 631-36-7 | C8H20Si | tetraethylsilane |
| Tetrafluorobenzoic acid | 1201-31-6 | C7H2F4O2 | tetrafluorobenzoic-acid |
| Tetrafluorohydroquinone | 771-63-1 | C6H2F4O2 | tetrafluorohydroquinone |
| Tetrahydro-2-furancarboxylic acid | 16874-33-2 | C5H8O3 | tetrahydro-2-furancarboxylic-acid |
| Tetrahydrofurfuryl Acetate | 637-64-9 | C7H12O3 | tetrahydrofurfuryl-acetate |
| Tetrahydrofurfuryl acrylate | 2399-48-6 | C8H12O3 | tetrahydrofurfuryl-acrylate |
| Tetrahydrofurfuryl bromide | 1192-30-9 | C5H9BrO | tetrahydrofurfuryl-bromide |
| Tetrahydrofurfuryl chloride | 3003-84-7 | C5H9ClO | tetrahydrofurfuryl-chloride |
| Tetrahydrophthalic Acid | 88-98-2 | C8H10O4 | tetrahydrophthalic-acid |
| Tetrahydrophthalic acid imide | 85-40-5 | C8H9NO2 | tetrahydrophthalic-acid-imide |
| Tetrahydropyran-2-Methanol | 100-72-1 | C6H12O2 | tetrahydropyran-2-methanol |
| Tetrahydroquinone | 637-88-7 | C6H8O2 | tetrahydroquinone |
| Tetramethylene diacetate | 628-67-1 | C8H14O4 | tetramethylene-diacetate |
| Tetramethylputrescine | 111-51-3 | C8H20N2 | tetramethylputrescine |
| Tetramethylsuccinonitrile | 3333-52-6 | C8H12N2 | tetramethylsuccinonitrile |
| Tetramethylthiourea | 2782-91-4 | C5H12N2S | tetramethylthiourea |
| Tetramethylthiuram monosulfide | 97-74-5 | C6H12N2S3 | tetramethylthiuram-monosulfide |
| Tetramethyltrimethylenediamine | 110-95-2 | C7H18N2 | tetramethyltrimethylenediamine |
| Tetramethylurea | 632-22-4 | C5H12N2O | tetramethylurea |
| Tetrathiafulvalene | 31366-25-3 | C6H4S4 | tetrathiafulvalene |
| theobromine | 83-67-0 | C7H8N4O2 | theobromine |
| Thexyl alcohol | 594-60-5 | C6H14O | thexyl-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.