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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All 2938
Showing 1041–1120 of 2,938 · all targets · page 14/37
| Target | CAS | Formula | Slug |
|---|---|---|---|
| 4-Methyl-1-Pentene | 691-37-2 | C6H12 | 4-methyl-1-pentene |
| 4-Methyl-1-pentyne | 7154-75-8 | C6H10 | 4-methyl-1-pentyne |
| 4-Methyl-1-tetralone | 19832-98-5 | C11H12O | 4-methyl-1-tetralone |
| 4-methyl-2-oxopentanoic acid | 816-66-0 | C6H10O3 | 4-methyl-2-oxopentanoic-acid |
| 4-Methyl-2-pentanone | 108-10-1 | C6H12O | 4-methyl-2-pentanone |
| 4-Methyl-2-Pentyl Acetate | 108-84-9 | C8H16O2 | 4-methyl-2-pentyl-acetate |
| 4-Methyl-5-Thiazoleethanol | 137-00-8 | C6H9NOS | 4-methyl-5-thiazoleethanol |
| 4-Methyl-o-phenylenediamine | 496-72-0 | C7H10N2 | 4-methyl-o-phenylenediamine |
| 4-Methylbenzoic acid | 99-94-5 | C8H8O2 | 4-methylbenzoic-acid |
| 4-Methylbenzoyl chloride | 874-60-2 | C8H7ClO | 4-methylbenzoyl-chloride |
| 4-Methylbenzyl alcohol | 589-18-4 | C8H10O | 4-methylbenzyl-alcohol |
| 4-Methylbenzyl cyanide | 2947-61-7 | C9H9N | 4-methylbenzyl-cyanide |
| 4-Methylcyclohexanol | 589-91-3 | C7H14O | 4-methylcyclohexanol |
| 4-Methylheptane | 589-53-7 | C8H18 | 4-methylheptane |
| 4-Methylimidazole | 822-36-6 | C4H6N2 | 4-methylimidazole |
| 4-Methylnonane | 17301-94-9 | C10H22 | 4-methylnonane |
| 4-Methylpiperidine | 626-58-4 | C6H13N | 4-methylpiperidine |
| 4-Methylpyridine | 108-89-4 | C6H7N | 4-methylpyridine |
| 4-Methylpyrimidin-2-ol HCl | 15231-48-8 | C5H6N2O | 4-methylpyrimidin-2-ol-hcl |
| 4-Methylpyrimidine | 3438-46-8 | C5H6N2 | 4-methylpyrimidine |
| 4-Methylthiazole | 693-95-8 | C4H5NS | 4-methylthiazole |
| 4-Methylvaleric acid | 646-07-1 | C6H12O2 | 4-methylvaleric-acid |
| 4-Morpholineethanesulfonic acid | 4432-31-9 | C6H13NO4S | 4-morpholineethanesulfonic-acid |
| 4-Nitroaniline | 100-01-6 | C6H6N2O2 | 4-nitroaniline |
| 4-Nitrobenzenesulfonyl chloride | 98-74-8 | C6H4ClNO4S | 4-nitrobenzenesulfonyl-chloride |
| 4-Nitrobenzenesulfonyl fluoride | 349-96-2 | C6H4FNO4S | 4-nitrobenzenesulfonyl-fluoride |
| 4-nitrocatechol | 3316-09-4 | C6H5NO4 | 4-nitrocatechol |
| 4-Nitrophenolate | 14609-74-6 | C6H4NO3- | 4-nitrophenolate |
| 4-nitrophenyl phosphate | 330-13-2 | C6H6NO6P | 4-nitrophenyl-phosphate |
| 4-Nonanone | 4485-09-0 | C9H18O | 4-nonanone |
| 4-Penten-2-Ol | 625-31-0 | C5H10O | 4-penten-2-ol |
| 4-Pentenoic Acid | 591-80-0 | C5H8O2 | 4-pentenoic-acid |
| 4-Pentenyl isothiocyanate | 18060-79-2 | C6H9NS | 4-pentenyl-isothiocyanate |
| 4-Phenoxybutyric Acid | 6303-58-8 | C10H12O3 | 4-phenoxybutyric-acid |
| 4-Phenyl-1-butanol | 3360-41-6 | C10H14O | 4-phenyl-1-butanol |
| 4-Phenyl-1-butyne | 16520-62-0 | C10H10 | 4-phenyl-1-butyne |
| 4-Phenylbut-3-yn-1-ol | 10229-11-5 | C10H10O | 4-phenylbut-3-yn-1-ol |
| 4-Phenylbutylamine | 13214-66-9 | C10H15N | 4-phenylbutylamine |
| 4-Phenylbutyric Acid | 1821-12-1 | C10H12O2 | 4-phenylbutyric-acid |
| 4-Phenylpyrimidine | 3438-48-0 | C10H8N2 | 4-phenylpyrimidine |
| 4-Phenylurazole | 15988-11-1 | C8H7N3O2 | 4-phenylurazole |
| 4-Picoline N-oxide | 1003-67-4 | C6H7NO | 4-picoline-n-oxide |
| 4-Piperidinopyridine | 2767-90-0 | C10H14N2 | 4-piperidinopyridine |
| 4-Propylaniline | 2696-84-6 | C9H13N | 4-propylaniline |
| 4-Propylbenzoyl chloride | 52710-27-7 | C10H11ClO | 4-propylbenzoyl-chloride |
| 4-Propylpyridine | 1122-81-2 | C8H11N | 4-propylpyridine |
| 4-Pyridoxic acid | 82-82-6 | C8H9NO4 | 4-pyridoxic-acid |
| 4-sec-Butylphenol | 99-71-8 | C10H14O | 4-sec-butylphenol |
| 4-tert-Butylaniline | 769-92-6 | C10H15N | 4-tert-butylaniline |
| 4-tert-Butylanisole | 5396-38-3 | C11H16O | 4-tert-butylanisole |
| 4-tert-Butylcatechol | 98-29-3 | C10H14O2 | 4-tert-butylcatechol |
| 4-tert-Butylcyclohexanone | 98-53-3 | C10H18O | 4-tert-butylcyclohexanone |
| 4-Trimethylammoniobutanoate | 10329-41-6 | C7H16NO2+ | 4-trimethylammoniobutanoate |
| 4,4-dimethyloxazoline | 30093-99-3 | C5H9NO | dmox |
| 4'-Aminoacetophenone | 99-92-3 | C8H9NO | 4-aminoacetophenone |
| 4'-Bromoacetophenone | 99-90-1 | C8H7BrO | 4-bromoacetophenone |
| 4'-Bromopropiophenone | 10342-83-3 | C9H9BrO | 4-bromopropiophenone |
| 4'-Chloroacetoacetanilide | 101-92-8 | C10H10ClNO2 | 4-chloroacetoacetanilide |
| 4'-Chloroacetophenone | 99-91-2 | C8H7ClO | 4-chloroacetophenone |
| 4'-Chlorobutyrophenone | 4981-63-9 | C10H11ClO | 4-chlorobutyrophenone |
| 4'-Fluoroacetophenone | 403-42-9 | C8H7FO | 4-fluoroacetophenone |
| 4'-Hydroxyacetophenone | 99-93-4 | C8H8O2 | 4-hydroxyacetophenone |
| 4'-Methylpropiophenone | 5337-93-9 | C10H12O | 4-methylpropiophenone |
| 5-(2-Methylthioethyl)hydantoin | 13253-44-6 | C6H10N2O2S | 5-2-methylthioethylhydantoin |
| 5-(4-Chlorobutyl)hydantoin | 40126-55-4 | C7H11ClN2O2 | 5-4-chlorobutylhydantoin |
| 5-Amino-1-pentanol | 2508-29-4 | C5H13NO | 5-amino-1-pentanol |
| 5-Amino-1H-pyrazole | 916420-28-5 | C3H5N3 | 5-amino-1h-pyrazole |
| 5-Amino-m-xylene | 108-69-0 | C8H11N | 5-amino-m-xylene |
| 5-Aminoindan | 24425-40-9 | C9H11N | 5-aminoindan |
| 5-Aminoindole | 5192-03-0 | C8H8N2 | 5-aminoindole |
| 5-Aminoisoxazole | 14678-05-8 | C3H4N2O | 5-aminoisoxazole |
| 5-azacytidine | 320-67-2 | C8H12N4O5 | 5-azacytidine |
| 5-Azauracil | 71-33-0 | C3H3N3O2 | 5-azauracil |
| 5-Benzimidazolecarboxylic acid | 15788-16-6 | C8H6N2O2 | 5-benzimidazolecarboxylic-acid |
| 5-Bromo-2-chloropyridine | 53939-30-3 | C5H3BrClN | 5-bromo-2-chloropyridine |
| 5-Bromo-2-chloropyrimidine | 32779-36-5 | C4H2BrClN2 | 5-bromo-2-chloropyrimidine |
| 5-Bromo-2-fluorobenzotrifluoride | 393-37-3 | C7H3BrF4 | 5-bromo-2-fluorobenzotrifluoride |
| 5-Bromo-2-methoxybenzaldehyde | 25016-01-7 | C8H7BrO2 | 5-bromo-2-methoxybenzaldehyde |
| 5-Bromo-2-methoxybenzyl alcohol | 80866-82-6 | C8H9BrO2 | 5-bromo-2-methoxybenzyl-alcohol |
| 5-Bromo-2-methylpyridine | 3430-13-5 | C6H6BrN | 5-bromo-2-methylpyridine |
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.