CT
ChemicalTool Reaction
Retrosynthesis · AI + evidence

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
A–ZA 110B 109C 118D 220E 114F 23G 41H 68I 87J 1K 3L 17M 160N 118O 46P 165Q 5R 6S 42T 156U 55V 30WX 2YZ 1
CarbonsC1–C4 559C5–C8 1613C9–C12 766C13–C18C19+

Showing 81–160 of 1,613 · formula C5–C8 · page 2/21

TargetCASFormulaSlug
1-Hexyne 693-02-7 C6H10 1-hexyne
1-Imino-1H-isoindol-3-amine 3468-11-9 C8H7N3 1-imino-1h-isoindol-3-amine
1-Iodo-2-methylbutane 616-14-8 C5H11I 1-iodo-2-methylbutane
1-Iodo-3-methylbutane 541-28-6 C5H11I 1-iodo-3-methylbutane
1-Iodo-3-nitrobenzene 645-00-1 C6H4INO2 1-iodo-3-nitrobenzene
1-Iodo-4-(trifluoromethoxy)benzene 103962-05-6 C7H4F3IO 1-iodo-4-trifluoromethoxybenzene
1-Iodo-4-nitrobenzene 636-98-6 C6H4INO2 1-iodo-4-nitrobenzene
1-Iodohexane 638-45-9 C6H13I 1-iodohexane
1-Iodooctane 629-27-6 C8H17I 1-iodooctane
1-Iodopentane 628-17-1 C5H11I 1-iodopentane
1-Methoxy-2-Butanol 53778-73-7 C5H12O2 1-methoxy-2-butanol
1-Methyl-2-piperidinemethanol 20845-34-5 C7H15NO 1-methyl-2-piperidinemethanol
1-Methyl-2-pyrrolecarboxylic acid 6973-60-0 C6H7NO2 1-methyl-2-pyrrolecarboxylic-acid
1-Methyl-2-Pyrrolidinone 872-50-4 C5H9NO 1-methyl-2-pyrrolidinone
1-Methyl-L-histidine 332-80-9 C7H11N3O2 1-methyl-l-histidine
1-Methylallyl acetate 6737-11-7 C6H10O2 1-methylallyl-acetate
1-Methylcyclohexene 591-49-1 C7H12 1-methylcyclohexene
1-Methylcyclopropane-1-carboxylic acid 6914-76-7 C5H8O2 1-methylcyclopropane-1-carboxylic-acid
1-methylnicotinamide 3106-60-3 C7H9N2O+ 1-methylnicotinamide
1-Methylpiperidin-4-ol 106-52-5 C6H13NO 1-methylpiperidin-4-ol
1-Methylthio-3-buten-1-yne 13030-50-7 C5H6S 1-methylthio-3-buten-1-yne
1-Nitrohexane 646-14-0 C6H13NO2 1-nitrohexane
1-O-phosphonohexopyranose 6799-01-5 C6H13O9P 1-o-phosphonohexopyranose
1-Octanesulfonyl chloride 7795-95-1 C8H17ClO2S 1-octanesulfonyl-chloride
1-Octanethiol 111-88-6 C8H18S 1-octanethiol
1-octanol 111-87-5 C8H18O 1-octanol
1-Octyn-3-Ol 818-72-4 C8H14O 1-octyn-3-ol
1-Penten-3-Ol 616-25-1 C5H10O 1-penten-3-ol
1-Pentene 109-67-1 C5H10 1-pentene
1-Pentyn-3-ol 4187-86-4 C5H8O 1-pentyn-3-ol
1-Phenylethanamine 98-84-0 C8H11N 1-phenylethanamine
1-Vinylimidazole 1072-63-5 C5H6N2 1-vinylimidazole
1,2-dichloro-4-nitrobenzene 99-54-7 C6H3Cl2NO2 dcnb
1(2h)-Phthalazinone 119-39-1 C8H6N2O 12h-phthalazinone
12-Crown-4 294-93-9 C8H16O4 12-crown-4
1H-Pyrrole-2-carbaldehyde 1003-29-8 C5H5NO 1h-pyrrole-2-carbaldehyde
2-(1H-Imidazol-1-Yl)Acetic Acid 22884-10-2 C5H6N2O2 2-1h-imidazol-1-ylacetic-acid
2-(2-(Dimethylamino)ethoxy)ethanol 1704-62-7 C6H15NO2 2-2-dimethylaminoethoxyethanol
2-(2-Aminoethyl)pyridine 2706-56-1 C7H10N2 2-2-aminoethylpyridine
2-(2-Chlorophenyl)ethylamine 13078-80-3 C8H10ClN 2-2-chlorophenylethylamine
2-(2-Ethoxyethoxy)-2-methylpropane 51422-54-9 C8H18O2 2-2-ethoxyethoxy-2-methylpropane
2-(2-Ethoxyethoxy)ethyl Acetate 112-15-2 C8H16O4 2-2-ethoxyethoxyethyl-acetate
2-(2-Hydroxyethoxy)phenol 4792-78-3 C8H10O3 2-2-hydroxyethoxyphenol
2-(2-Hydroxyethyl)piperidine 1484-84-0 C7H15NO 2-2-hydroxyethylpiperidine
2-(2-Methoxyethoxy)-2-methylpropane 66728-50-5 C7H16O2 2-2-methoxyethoxy-2-methylpropane
2-(4-Bromophenyl)ethanol 4654-39-1 C8H9BrO 2-4-bromophenylethanol
2-(4-Fluorophenyl)acetic acid 405-50-5 C8H7FO2 2-4-fluorophenylacetic-acid
2-(Butylthio)ethanol 5331-37-3 C6H14OS 2-butylthioethanol
2-(carbamoylamino)pentanedioic acid 40860-26-2 C6H10N2O5 2-carbamoylaminopentanedioic-acid
2-(Chloromethyl)pyridine 4377-33-7 C6H6ClN 2-chloromethylpyridine
2-(cyclohexylamino)ethanol 2842-38-8 C8H17NO 2-cyclohexylaminoethanol
2-(Diethylamino)ethanol 100-37-8 C6H15NO 2-diethylaminoethanol
2-(Dimethylamino)-2-methylpropan-1-ol 7005-47-2 C6H15NO 2-dimethylamino-2-methylpropan-1-ol
2-(Dimethylamino)ethyl acetate 1421-89-2 C6H13NO2 2-dimethylaminoethyl-acetate
2-(Ethylthio)propane 5145-99-3 C5H12S 2-ethylthiopropane
2-(Isobutylthio)ethanol 42779-10-2 C6H14OS 2-isobutylthioethanol
2-(Methylamino)isobutyric acid 2566-34-9 C5H11NO2 2-methylaminoisobutyric-acid
2-(Methylthio)benzimidazole 7152-24-1 C8H8N2S 2-methylthiobenzimidazole
2-(Methylthio)benzothiazole 615-22-5 C8H7NS2 2-methylthiobenzothiazole
2-(Nonafluorobutyl)ethyl Iodide 2043-55-2 C6H4F9I 2-nonafluorobutylethyl-iodide
2-(Phenylthio)ethanol 699-12-7 C8H10OS 2-phenylthioethanol
2-(Piperazin-1-yl)pyrimidine 20980-22-7 C8H12N4 2-piperazin-1-ylpyrimidine
2-(propan-2-yloxy)ethan-1-amine 81731-43-3 C5H13NO 2-propan-2-yloxyethan-1-amine
2-(tert-Butylamino)ethanol 4620-70-6 C6H15NO 2-tert-butylaminoethanol
2-(Trifluoromethoxy)benzonitrile 63968-85-4 C8H4F3NO 2-trifluoromethoxybenzonitrile
2-(Trifluoromethoxy)benzyl bromide 198649-68-2 C8H6BrF3O 2-trifluoromethoxybenzyl-bromide
2-(Trifluoromethyl)benzylamine 3048-01-9 C8H8F3N 2-trifluoromethylbenzylamine
2-(Trifluoromethyl)benzylic alcohol 346-06-5 C8H7F3O 2-trifluoromethylbenzylic-alcohol
2-(Trimethylsilyl)methyl acetate 2917-65-9 C6H14O2Si 2-trimethylsilylmethyl-acetate
2-[2-(oxiran-2-yl)ethyl]oxirane 1888-89-7 C6H10O2 2-2-oxiran-2-ylethyloxirane
2-Acetamidoacrylic acid 5429-56-1 C5H7NO3 2-acetamidoacrylic-acid
2-Acetamidothiazole 2719-23-5 C5H6N2OS 2-acetamidothiazole
2-Acetyl-5-bromothiophene 5370-25-2 C6H5BrOS 2-acetyl-5-bromothiophene
2-Acetyl-5-chlorothiophene 6310-09-4 C6H5ClOS 2-acetyl-5-chlorothiophene
2-Acetylbutyrolactone 517-23-7 C6H8O3 2-acetylbutyrolactone
2-Acetylpyrrole 1072-83-9 C6H7NO 2-acetylpyrrole
2-Acetylresorcinol 699-83-2 C8H8O3 2-acetylresorcinol
2-Allyloxyethanol 111-45-5 C5H10O2 2-allyloxyethanol
2-Amino-1-phenylethanol 7568-93-6 C8H11NO 2-amino-1-phenylethanol
2-amino-2-(4-hydroxyphenyl)acetic acid 938-97-6 C8H9NO3 2-amino-2-4-hydroxyphenylacetic-acid

References & tools