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 1121–1200 of 1,613 · formula C5–C8 · page 15/21
| Target | CAS | Formula | Slug |
|---|---|---|---|
| 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 methyl ether | 4747-07-3 | C7H16O | hexyl-methyl-ether |
| Hexylamine | 111-26-2 | C6H15N | hexylamine |
| Hexylene glycol | 107-41-5 | C6H14O2 | hexylene-glycol |
| histamine | 51-45-6 | C5H9N3 | histamine |
| histidinol | 501-28-0 | C6H11N3O | histidinol |
| Homogentisic acid | 451-13-8 | C8H8O4 | homogentisic-acid |
| Hsdb 6292 | 609-19-8 | C6H3Cl3O | hsdb-6292 |
| hydralazine | 86-54-4 | C8H8N4 | hydralazine |
| hydroquinone | 123-31-9 | C6H6O2 | hydroquinone |
| Hydroxyhydroquinone | 533-73-3 | C6H6O3 | hydroxyhydroquinone |
| hypoxanthine | 68-94-0 | C5H4N4O | hypoxanthine |
| Ifnwesyydinuhv-Olqvqodusa-n | 108-49-6 | C6H14N2 | ifnwesyydinuhv-olqvqodusa-n |
| InChI=1/C6H12I2/c7-5-3-1-2-4-6-8/h1-6H2 | 629-09-4 | C6H12I2 | inchi1c6h12i2c7-5-3-1-2-4-6-8h1-6h2 |
| indole | 120-72-9 | C8H7N | indole |
| Indoline | 496-15-1 | C8H9N | indoline |
| Iodobenzene | 591-50-4 | C6H5I | iodobenzene |
| Iodophenylmercury | 823-04-1 | C6H5HgI | iodophenylmercury |
| Isoamyl alcohol | 123-51-3 | C5H12O | isoamyl-alcohol |
| Isoamyl lactate | 19329-89-6 | C8H16O3 | isoamyl-lactate |
| Isoamylamine | 107-85-7 | C5H13N | isoamylamine |
| Isobutyl Acetate | 110-19-0 | C6H12O2 | isobutyl-acetate |
| Isobutyl acetoacetate | 7779-75-1 | C8H14O3 | isobutyl-acetoacetate |
| Isobutyl chloroformate | 543-27-1 | C5H9ClO2 | isobutyl-chloroformate |
| Isobutyl isothiocyanate | 591-82-2 | C5H9NS | isobutyl-isothiocyanate |
| Isobutyl methacrylate | 97-86-9 | C8H14O2 | isobutyl-methacrylate |
| Isobutyl sulfide | 592-65-4 | C8H18S | isobutyl-sulfide |
| Isocapronitrile | 542-54-1 | C6H11N | isocapronitrile |
| isocitric acid | 320-77-4 | C6H8O7 | isocitric-acid |
| Isoindoline | 496-12-8 | C8H9N | isoindoline |
| isoniazid | 54-85-3 | C6H7N3O | isoniazid |
| Isonicotinic Acid | 55-22-1 | C6H5NO2 | isonicotinic-acid |
| Isopentyldiol | 2568-33-4 | C5H12O2 | isopentyldiol |
| Isophthalaldehyde | 626-19-7 | C8H6O2 | isophthalaldehyde |
| Isophthalamide | 1740-57-4 | C8H8N2O2 | isophthalamide |
| Isophthalic Acid | 121-91-5 | C8H6O4 | isophthalic-acid |
| Isophthalonitrile | 626-17-5 | C8H4N2 | isophthalonitrile |
| Isoprene | 78-79-5 | C5H8 | isoprene |
| Isopropenyl acetate | 108-22-5 | C5H8O2 | isopropenyl-acetate |
| Isopropenylcyclopropane | 4663-22-3 | C6H10 | isopropenylcyclopropane |
| isopropyl 2-cyanoacetate | 13361-30-3 | C6H9NO2 | isopropyl-2-cyanoacetate |
| Isopropyl Acetate | 108-21-4 | C5H10O2 | isopropyl-acetate |
| Isopropyl Chloroacetate | 105-48-6 | C5H9ClO2 | isopropyl-chloroacetate |
| Isopropyl Isobutyrate | 617-50-5 | C7H14O2 | isopropyl-isobutyrate |
| Isopropyl n-Propyl Sulfide | 5008-73-1 | C6H14S | isopropyl-n-propyl-sulfide |
| Isopropyl Propionate | 637-78-5 | C6H12O2 | isopropyl-propionate |
| Isopropyl Vinyl Ether | 926-65-8 | C5H10O | isopropyl-vinyl-ether |
| Isopropylethanediol | 109-59-1 | C5H12O2 | isopropylethanediol |
| Isovaleric Acid | 503-74-2 | C5H10O2 | isovaleric-acid |
| Isovaleryl chloride | 108-12-3 | C5H9ClO | isovaleryl-chloride |
| Isovanillin | 621-59-0 | C8H8O3 | isovanillin |
| Itaconic acid | 97-65-4 | C5H6O4 | itaconic-acid |
| Itaconic anhydride | 25300-97-4 | C5H4O3 | itaconic-anhydride |
| Kyanmethin | 461-98-3 | C6H9N3 | kyanmethin |
| L-arginine | 74-79-3 | C6H14N4O2 | l-arginine |
| Levulinic Acid | 123-76-2 | C5H8O3 | levulinic-acid |
| lipoamide | 940-69-2 | C8H15NOS2 | lipoamide |
| Lumazine | 487-21-8 | C6H4N4O2 | lumazine |
| Luminol | 521-31-3 | C8H7N3O2 | luminol |
| Lupetazine | 106-58-1 | C6H14N2 | lupetazine |
| Ly 004892 | 95-76-1 | C6H5Cl2N | ly-004892 |
| m-Anisidine | 536-90-3 | C7H9NO | m-anisidine |
| m-Benzenedisulfonyl chloride | 585-47-7 | C6H4Cl2O4S2 | m-benzenedisulfonyl-chloride |
| m-Cresol | 108-39-4 | C7H8O | m-cresol |
| m-Dibromobenzene | 108-36-1 | C6H4Br2 | m-dibromobenzene |
| m-Dichloroaniline | 626-43-7 | C6H5Cl2N | m-dichloroaniline |
| m-Dichlorobenzene | 541-73-1 | C6H4Cl2 | m-dichlorobenzene |
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.