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 2401–2480 of 2,938 · all targets · page 31/37
| Target | CAS | Formula | Slug |
|---|---|---|---|
| N-tert-Butylformamide | 2425-74-3 | C5H11NO | n-tert-butylformamide |
| N-Vinyl-2-Pyrrolidone | 88-12-0 | C6H9NO | n-vinyl-2-pyrrolidone |
| N-Vinylphthalimide | 3485-84-5 | C10H7NO2 | n-vinylphthalimide |
| N,N-Dimethylformamide | 68-12-2 | C3H7NO | dimethylformamide |
| N2-Acetyl-DL-lysine | 24321-24-2 | C8H16N2O3 | n2-acetyl-dl-lysine |
| N4-Acetylcytosine | 14631-20-0 | C6H7N3O2 | n4-acetylcytosine |
| Naled (1,2-dibromo-2,2-dichloroethyl dimethyl phosphate) | 300-76-5 | C4H7Br2Cl2O4P | naled |
| Naphthalene | 91-20-3 | C10H8 | naphthalene |
| Naphthohydroquinone | 571-60-8 | C10H8O2 | naphthohydroquinone |
| Naphthoresorcinol | 132-86-5 | C10H8O2 | naphthoresorcinol |
| NCIOpen2_001485 | 769-39-1 | C6H2F4O | nciopen2-001485 |
| Neohexene | 558-37-2 | C6H12 | neohexene |
| Neopentyl glycol | 126-30-7 | C5H12O2 | neopentyl-glycol |
| Neophyl chloride | 515-40-2 | C10H13Cl | neophyl-chloride |
| Nereistoxin | 1631-58-9 | C5H11NS2 | nereistoxin |
| nicotinamide | 98-92-0 | C6H6N2O | nicotinamide |
| Nicotinamide N-oxide | 1986-81-8 | C6H6N2O2 | nicotinamide-n-oxide |
| Nicotine-derived nitrosamine ketone | 64091-91-4 | C10H13N3O2 | nicotine-derived-nitrosamine-ketone |
| nicotinic acid | 59-67-6 | C6H5NO2 | nicotinic-acid |
| Nicotinic acid hydrazide | 553-53-7 | C6H7N3O | nicotinic-acid-hydrazide |
| Nicotinuric acid | 583-08-4 | C8H8N2O3 | nicotinuric-acid |
| Nitrilotripropionamide | 2664-61-1 | C9H18N4O3 | nitrilotripropionamide |
| Nitro-p-dichlorobenzene | 89-61-2 | C6H3Cl2NO2 | nitro-p-dichlorobenzene |
| Nitrobenzene | 98-95-3 | C6H5NO2 | nitrobenzene |
| Nitroethane | 79-24-3 | C2H5NO2 | nitroethane |
| Nitromethane | 75-52-5 | CH3NO2 | nitromethane |
| Nitrosobenzene | 586-96-9 | C6H5NO | nitrosobenzene |
| Nonanoic Acid | 112-05-0 | C9H18O2 | nonanoic-acid |
| Norborn-2-ylacetic acid | 1007-01-8 | C9H14O2 | norborn-2-ylacetic-acid |
| nutty pyrazine | 23747-48-0 | C8H10N2 | nutty-pyrazine |
| O-((Aminoiminomethyl)amino)homoserine | 13269-28-8 | C5H12N4O3 | o-aminoiminomethylaminohomoserine |
| o-(Allyloxy)anisole | 4125-43-3 | C10H12O2 | o-allyloxyanisole |
| O-Acetylmandelic acid | 5438-68-6 | C10H10O4 | o-acetylmandelic-acid |
| o-Benzoquinone | 583-63-1 | C6H4O2 | o-benzoquinone |
| o-Chlorophenethylic alcohol | 19819-95-5 | C8H9ClO | o-chlorophenethylic-alcohol |
| o-Cresol | 95-48-7 | C7H8O | o-cresol |
| o-Dibromobenzene | 583-53-9 | C6H4Br2 | o-dibromobenzene |
| o-Diethoxybenzene | 2050-46-6 | C10H14O2 | o-diethoxybenzene |
| O-Dinitrobenzene | 528-29-0 | C6H4N2O4 | o-dinitrobenzene |
| o-Dithiane | 505-20-4 | C4H8S2 | o-dithiane |
| O-Methylhydroxylamine | 67-62-9 | CH5NO | o-methylhydroxylamine |
| o-Phenetidine | 94-70-2 | C8H11NO | o-phenetidine |
| o-Phenylene phosphorochloridate | 1499-17-8 | C6H4ClO3P | o-phenylene-phosphorochloridate |
| o-Phenylene phosphorochloridite | 1641-40-3 | C6H4ClO2P | o-phenylene-phosphorochloridite |
| O-Phenylenediamine | 95-54-5 | C6H8N2 | o-phenylenediamine |
| O-phosphonothreonine | 27530-80-9 | C4H10NO6P | o-phosphonothreonine |
| O-Phosphorylethanolamine | 1071-23-4 | C2H8NO4P | o-phosphorylethanolamine |
| o-Phthalaldehyde | 643-79-8 | C8H6O2 | o-phthalaldehyde |
| O-Toluic Acid | 118-90-1 | C8H8O2 | o-toluic-acid |
| o-Tolunitrile | 529-19-1 | C8H7N | o-tolunitrile |
| o-Toluoyl chloride | 933-88-0 | C8H7ClO | o-toluoyl-chloride |
| o-Tolyl acetate | 533-18-6 | C9H10O2 | o-tolyl-acetate |
| o-Tolyl isocyanate | 614-68-6 | C8H7NO | o-tolyl-isocyanate |
| o-Tolylacetic acid | 644-36-0 | C9H10O2 | o-tolylacetic-acid |
| o-Tolylbiguanide | 93-69-6 | C9H13N5 | o-tolylbiguanide |
| o-Tolylurea | 614-77-7 | C8H10N2O | o-tolylurea |
| o-Veratramide | 1521-39-7 | C9H11NO3 | o-veratramide |
| o-Xylene | 95-47-6 | C8H10 | o-xylene |
| o-Xylene-4-carboxylic Acid | 619-04-5 | C9H10O2 | o-xylene-4-carboxylic-acid |
| o-Xylylene dibromide | 91-13-4 | C8H8Br2 | o-xylylene-dibromide |
| Octamethylcyclotetrasiloxane | 556-67-2 | C8H24O4Si4 | octamethylcyclotetrasiloxane |
| Octamethyltrisiloxane | 107-51-7 | C8H24O2Si3 | octamethyltrisiloxane |
| Octanal | 124-13-0 | C8H16O | octanal |
| Octanal dimethyl acetal | 10022-28-3 | C10H22O2 | octanal-dimethyl-acetal |
| Octane | 111-65-9 | C8H18 | octane |
| Octanedioic acid | 505-48-6 | C8H14O4 | octanedioic-acid |
| Octanohydroxamic Acid | 7377-03-9 | C8H17NO2 | octanohydroxamic-acid |
| octanoic acid | 124-07-2 | C8H16O2 | octanoic-acid |
| Octodrine | 543-82-8 | C8H19N | octodrine |
| Octyl chloroformate | 7452-59-7 | C9H17ClO2 | octyl-chloroformate |
| oDiiodobenzene | 615-42-9 | C6H4I2 | odiiodobenzene |
| ophiocerin C | 854986-86-0 | C6H12O3 | ophiocerin-c |
| Orotic acid | 65-86-1 | C5H4N2O4 | orotic-acid |
| Orotic acid methyl ester | 6153-44-2 | C6H6N2O4 | orotic-acid-methyl-ester |
| ortho-diacetylbenzene | 704-00-7 | C10H10O2 | ortho-diacetylbenzene |
| Oxetane | 503-30-0 | C3H6O | oxetane |
| p-Aminophenylmercuric acetate | 6283-24-5 | C8H9HgNO2 | p-aminophenylmercuric-acetate |
| p-Anisidine | 104-94-9 | C7H9NO | p-anisidine |
| p-benzoquinone | 106-51-4 | C6H4O2 | p-benzoquinone |
| p-Chloro-2-chloroacetophenone | 2234-16-4 | C8H6Cl2O | p-chloro-2-chloroacetophenone |
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.