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 1–68 of 68 · letter H · page 1/1
| Target | CAS | Formula | Slug |
|---|---|---|---|
| H-D-His(tau-Me)-OH | 28095-60-5 | C7H11N3O2 | h-d-histau-me-oh |
| H2cbdca | 5445-51-2 | C6H8O4 | h2cbdca |
| Halomon | 142439-86-9 | C10H15Br2Cl3 | halomon |
| hazelnut pyrazine | 18138-04-0 | C9H14N2 | hazelnut-pyrazine |
| HC-DSB cpd | 2504-64-5 | C2H4Cl6Si2 | hc-dsb-cpd |
| Hcfc-131 | 359-28-4 | C2H2Cl3F | hcfc-131 |
| Hemimellitene | 526-73-8 | C9H12 | hemimellitene |
| hept-6-en-1-ol | 4117-10-6 | C7H14O | hept-6-en-1-ol |
| heptafluorocyclopentane | 15290-77-4 | C5H3F7 | heptafluorocyclopentane |
| Heptanal | 111-71-7 | C7H14O | heptanal |
| Heptanedinitrile | 646-20-8 | C7H10N2 | heptanedinitrile |
| heptyl carbonochloridate | 33758-34-8 | C8H15ClO2 | heptyl-carbonochloridate |
| Hexachlorocyclohexane | 27154-44-5 | C6H6Cl6 | hexachlorocyclohexane |
| Hexachloronorbornadiene | 3389-71-7 | C7H2Cl6 | hexachloronorbornadiene |
| Hexafluoro-tert-butanol | 1515-14-6 | C4H4F6O | hexafluoro-tert-butanol |
| Hexafluoroamylene glycol | 376-90-9 | C5H6F6O2 | hexafluoroamylene-glycol |
| Hexafluoroisopropyl acrylate | 2160-89-6 | C6H4F6O2 | hexafluoroisopropyl-acrylate |
| Hexahydroterephthalic acid | 1076-97-7 | C8H12O4 | hexahydroterephthalic-acid |
| Hexamethylcyclotrisilazane | 1009-93-4 | C6H21N3Si3 | hexamethylcyclotrisilazane |
| Hexamethylcyclotrisiloxane | 541-05-9 | C6H18O3Si3 | hexamethylcyclotrisiloxane |
| Hexamethyldisilane | 1450-14-2 | C6H18Si2 | hexamethyldisilane |
| Hexamethylene dibromide | 629-03-8 | C6H12Br2 | hexamethylene-dibromide |
| Hexamethylene dichloride | 2163-00-0 | C6H12Cl2 | hexamethylene-dichloride |
| Hexamethylene Diisocyanate | 822-06-0 | C8H12N2O2 | hexamethylene-diisocyanate |
| Hexamethylene dimercaptan | 1191-43-1 | C6H14S2 | hexamethylene-dimercaptan |
| Hexamethylene glycol | 629-11-8 | C6H14O2 | hexamethylene-glycol |
| Hexamethylenediamine | 124-09-4 | C6H16N2 | hexamethylenediamine |
| Hexamethyleneimine | 111-49-9 | C6H13N | hexamethyleneimine |
| Hexamethylethane | 594-82-1 | C8H18 | hexamethylethane |
| Hexamethylphosphoramide | 680-31-9 | C6H18N3OP | hexamethylphosphoramide |
| Hexamethylphosphorous triamide | 1608-26-0 | C6H18N3P | hexamethylphosphorous-triamide |
| Hexanamide | 628-02-4 | C6H13NO | hexanamide |
| Hexane | 110-54-3 | C6H14 | hexane |
| Hexanenitrile | 628-73-9 | C6H11N | hexanenitrile |
| Hexanoic Acid | 142-62-1 | C6H12O2 | hexanoic-acid |
| Hexanoyl chloride | 142-61-0 | C6H11ClO | hexanoyl-chloride |
| Hexitol | 45007-61-2 | C6H14O6 | hexitol |
| Hexopyranose | 45009-62-9 | C6H12O6 | hexopyranose |
| Hexopyranuronic acid | 912483-14-8 | C6H10O7 | hexopyranuronic-acid |
| Hexyl acetoacetate | 13562-84-0 | C10H18O3 | hexyl-acetoacetate |
| Hexyl methyl ether | 4747-07-3 | C7H16O | hexyl-methyl-ether |
| Hexylamine | 111-26-2 | C6H15N | hexylamine |
| Hexylene glycol | 107-41-5 | C6H14O2 | hexylene-glycol |
| Hexyltrimethoxysilane | 3069-19-0 | C9H22O3Si | hexyltrimethoxysilane |
| HFC-245eb | 431-31-2 | C3H3F5 | hfc-245eb |
| hinokitiol | 499-44-5 | C10H12O2 | hinokitiol |
| Hippuric acid | 495-69-2 | C9H9NO3 | hippuric-acid |
| histamine | 51-45-6 | C5H9N3 | histamine |
| histidinol | 501-28-0 | C6H11N3O | histidinol |
| Homocysteic acid | 1001-13-4 | C4H9NO5S | homocysteic-acid |
| Homogentisic acid | 451-13-8 | C8H8O4 | homogentisic-acid |
| Homovanillic acid | 306-08-1 | C9H10O4 | homovanillic-acid |
| Homovanillyl alcohol | 2380-78-1 | C9H12O3 | homovanillyl-alcohol |
| Homoveratric acid | 93-40-3 | C10H12O4 | homoveratric-acid |
| Homoveratronitrile | 93-17-4 | C10H11NO2 | homoveratronitrile |
| Homoveratrylamine | 120-20-7 | C10H15NO2 | homoveratrylamine |
| Hsdb 6292 | 609-19-8 | C6H3Cl3O | hsdb-6292 |
| Hydantoic acid | 462-60-2 | C3H6N2O3 | hydantoic-acid |
| Hydantoin | 461-72-3 | C3H4N2O2 | hydantoin |
| hydralazine | 86-54-4 | C8H8N4 | hydralazine |
| hydrocinnamic acid | 501-52-0 | C9H10O2 | hydrocinnamic-acid |
| hydroquinone | 123-31-9 | C6H6O2 | hydroquinone |
| Hydroquinone bis(2-hydroxyethyl) ether | 104-38-1 | C10H14O4 | hydroquinone-bis2-hydroxyethyl-ether |
| Hydroxyacetone | 116-09-6 | C3H6O2 | hydroxyacetone |
| Hydroxyhydroquinone | 533-73-3 | C6H6O3 | hydroxyhydroquinone |
| Hydroxyhydroquinone trimethyl ether | 135-77-3 | C9H12O3 | hydroxyhydroquinone-trimethyl-ether |
| hypotaurine | 300-84-5 | C2H7NO2S | hypotaurine |
| hypoxanthine | 68-94-0 | C5H4N4O | hypoxanthine |
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.