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.
Browse
All 2938
Showing 2081–2160 of 2,938 · all targets · page 27/37
| Target | CAS | Formula | Slug |
|---|---|---|---|
| Isobutyl mercaptan | 513-44-0 | C4H10S | isobutyl-mercaptan |
| Isobutyl methacrylate | 97-86-9 | C8H14O2 | isobutyl-methacrylate |
| Isobutyl sulfide | 592-65-4 | C8H18S | isobutyl-sulfide |
| Isobutylene bromide | 594-34-3 | C4H8Br2 | isobutylene-bromide |
| Isobutylene oxide | 558-30-5 | C4H8O | isobutylene-oxide |
| Isobutyltrichlorosilane | 18169-57-8 | C4H9Cl3Si | isobutyltrichlorosilane |
| Isobutyraldehyde | 78-84-2 | C4H8O | isobutyraldehyde |
| Isobutyric Acid | 79-31-2 | C4H8O2 | isobutyric-acid |
| Isocapronitrile | 542-54-1 | C6H11N | isocapronitrile |
| isocitric acid | 320-77-4 | C6H8O7 | isocitric-acid |
| Isocyanomethane | 593-75-9 | C2H3N | isocyanomethane |
| Isoindoline | 496-12-8 | C8H9N | isoindoline |
| isoniazid | 54-85-3 | C6H7N3O | isoniazid |
| Isonicoteine | 581-50-0 | C10H8N2 | isonicoteine |
| Isonicotinic Acid | 55-22-1 | C6H5NO2 | isonicotinic-acid |
| Isononylaldehyde | 5435-64-3 | C9H18O | isononylaldehyde |
| Isopentyldiol | 2568-33-4 | C5H12O2 | isopentyldiol |
| Isophorone | 78-59-1 | C9H14O | isophorone |
| Isophorone Diamine | 2855-13-2 | C10H22N2 | isophorone-diamine |
| 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 |
| Isopral | 76-00-6 | C3H5Cl3O | isopral |
| Isoprene | 78-79-5 | C5H8 | isoprene |
| Isopropanol | 67-63-0 | C3H8O | isopropanol |
| 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 Carbamate | 1746-77-6 | C4H9NO2 | isopropyl-carbamate |
| Isopropyl Chloroacetate | 105-48-6 | C5H9ClO2 | isopropyl-chloroacetate |
| Isopropyl chloroformate | 108-23-6 | C4H7ClO2 | isopropyl-chloroformate |
| Isopropyl cyclohexanecarboxylate | 6553-80-6 | C10H18O2 | isopropyl-cyclohexanecarboxylate |
| Isopropyl Formate | 625-55-8 | C4H8O2 | isopropyl-formate |
| Isopropyl Isobutyrate | 617-50-5 | C7H14O2 | isopropyl-isobutyrate |
| Isopropyl isocyanate | 1795-48-8 | C4H7NO | isopropyl-isocyanate |
| 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 |
| Isopropylcyclohexane | 696-29-7 | C9H18 | isopropylcyclohexane |
| Isopropylethanediol | 109-59-1 | C5H12O2 | isopropylethanediol |
| Isoquinoline-1-carboxylic acid | 486-73-7 | C10H7NO2 | isoquinoline-1-carboxylic-acid |
| Isoquinoline-3-carboxylic Acid | 6624-49-3 | C10H7NO2 | isoquinoline-3-carboxylic-acid |
| Isothiochroman | 4426-75-9 | C9H10S | isothiochroman |
| Isovaleric Acid | 503-74-2 | C5H10O2 | isovaleric-acid |
| Isovaleric anhydride | 1468-39-9 | C10H18O3 | isovaleric-anhydride |
| 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 |
| Jeffcat Zf 10 | 83016-70-0 | C9H22N2O2 | jeffcat-zf-10 |
| Kyanmethin | 461-98-3 | C6H9N3 | kyanmethin |
| kynurenic acid | 492-27-3 | C10H7NO3 | kynurenic-acid |
| Kyowanoic n | 3302-10-1 | C9H18O2 | kyowanoic-n |
| L-arginine | 74-79-3 | C6H14N4O2 | l-arginine |
| l-Menthol | 2216-51-5 | C10H20O | l-menthol |
| lactic acid | 50-21-5 | C3H6O3 | lactic-acid |
| Lanthionamine | 871-76-1 | C4H12N2S | lanthionamine |
| Lastar A | 2403-88-5 | C9H19NO | lastar-a |
| Lawsone | 83-72-7 | C10H6O3 | lawsone |
| Lepidine | 491-35-0 | C10H9N | lepidine |
| Levulinic Acid | 123-76-2 | C5H8O3 | levulinic-acid |
| Limonene oxide | 1195-92-2 | C10H16O | limonene-oxide |
| Linalool | 78-70-6 | C10H18O | linalool-2 |
| Linuron | 330-55-2 | C9H10Cl2N2O2 | linuron |
| 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 |
| Lysidine | 534-26-9 | C4H8N2 | lysidine |
| m-Anisidine | 536-90-3 | C7H9NO | m-anisidine |
| m-Benzenedisulfonyl chloride | 585-47-7 | C6H4Cl2O4S2 | m-benzenedisulfonyl-chloride |
| m-Bis(2-hydroxyethoxy)benzene | 102-40-9 | C10H14O4 | m-bis2-hydroxyethoxybenzene |
| m-Bromopropiophenone | 19829-31-3 | C9H9BrO | m-bromopropiophenone |
| 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.