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 110 B 109 C 118 D 220 E 114 F 23 G 41 H 68 I 87 J 1 K 3 L 17 M 160 N 118 O 46 P 165 Q 5 R 6 S 42 T 156 U 55 V 30WX 2YZ 1

CarbonsC1–C4 559 C5–C8 1613 C9–C12 766C13–C18C19+

Showing 1281–1360 of 1,613 · formula C5–C8 · page 17/21

Target	CAS	Formula	Slug
N-aminophthalimide	1875-48-5	C8H6N2O2	`n-aminophthalimide`
n-Butoxy-2-propanol	5131-66-8	C7H16O2	`n-butoxy-2-propanol`
n-Butyl Ethyl Sulfide	638-46-0	C6H14S	`n-butyl-ethyl-sulfide`
N-Butyldiethanolamine	102-79-4	C8H19NO2	`n-butyldiethanolamine`
n-Butylethylenediamine	19522-69-1	C6H16N2	`n-butylethylenediamine`
N-Cyclohexylformamide	766-93-8	C7H13NO	`n-cyclohexylformamide`
N-Ethylaniline	103-69-5	C8H11N	`n-ethylaniline`
N-Ethylisopropylamine	19961-27-4	C5H13N	`n-ethylisopropylamine`
N-ethylmaleimide	128-53-0	C6H7NO2	`n-ethylmaleimide`
N-Ethylnicotinamide	4314-66-3	C8H10N2O	`n-ethylnicotinamide`
N-Ethylsuccinimide	2314-78-5	C6H9NO2	`n-ethylsuccinimide`
N-Formylpiperidine	2591-86-8	C6H11NO	`n-formylpiperidine`
N-Glycyl-DL-methionine	1999-34-4	C7H14N2O3S	`n-glycyl-dl-methionine`
N-Isopropylacrylamide	2210-25-5	C6H11NO	`n-isopropylacrylamide`
N-Isopropyltrimethylenediamine	3360-16-5	C6H16N2	`n-isopropyltrimethylenediamine`
N-Methyl-DL-aspartic acid	17833-53-3	C5H9NO4	`n-methyl-dl-aspartic-acid`
N-Methyl-m-toluidine	696-44-6	C8H11N	`n-methyl-m-toluidine`
N-Methyl-N-(trimethylsilyl)acetamide	7449-74-3	C6H15NOSi	`n-methyl-n-trimethylsilylacetamide`
N-Methyl-N-vinylacetamide	3195-78-6	C5H9NO	`n-methyl-n-vinylacetamide`
N-Methyl-o-toluidine	611-21-2	C8H11N	`n-methyl-o-toluidine`
N-Methyl-p-toluidine	623-08-5	C8H11N	`n-methyl-p-toluidine`
N-Methylbenzamide	613-93-4	C8H9NO	`n-methylbenzamide`
N-Methylbenzenesulfonamide	5183-78-8	C7H9NO2S	`n-methylbenzenesulfonamide`
N-Methyldiethanolamine	105-59-9	C5H13NO2	`n-methyldiethanolamine`
N-Methylfurfurylamine	4753-75-7	C6H9NO	`n-methylfurfurylamine`
N-Methylisobutylamine	625-43-4	C5H13N	`n-methylisobutylamine`
N-Methylmaleimide	930-88-1	C5H5NO2	`n-methylmaleimide`
N-Nitroso-N-methylaniline	614-00-6	C7H8N2O	`n-nitroso-n-methylaniline`
N-Nitrosodiisobutylamine	997-95-5	C8H18N2O	`n-nitrosodiisobutylamine`
N-Phenylethylenediamine	1664-40-0	C8H12N2	`n-phenylethylenediamine`
N-Phenylhydroxylamine	100-65-2	C6H7NO	`n-phenylhydroxylamine`
n-Propylcyclopentane	2040-96-2	C8H16	`n-propylcyclopentane`
N-tert-Butyl-N-ethylnitrosamine	3398-69-4	C6H14N2O	`n-tert-butyl-n-ethylnitrosamine`
N-tert-Butylformamide	2425-74-3	C5H11NO	`n-tert-butylformamide`
N-Vinyl-2-Pyrrolidone	88-12-0	C6H9NO	`n-vinyl-2-pyrrolidone`
N2-Acetyl-DL-lysine	24321-24-2	C8H16N2O3	`n2-acetyl-dl-lysine`
N4-Acetylcytosine	14631-20-0	C6H7N3O2	`n4-acetylcytosine`
NCIOpen2_001485	769-39-1	C6H2F4O	`nciopen2-001485`
Neohexene	558-37-2	C6H12	`neohexene`
Neopentyl glycol	126-30-7	C5H12O2	`neopentyl-glycol`
Nereistoxin	1631-58-9	C5H11NS2	`nereistoxin`
nicotinamide	98-92-0	C6H6N2O	`nicotinamide`
Nicotinamide N-oxide	1986-81-8	C6H6N2O2	`nicotinamide-n-oxide`
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`
Nitro-p-dichlorobenzene	89-61-2	C6H3Cl2NO2	`nitro-p-dichlorobenzene`
Nitrobenzene	98-95-3	C6H5NO2	`nitrobenzene`
Nitrosobenzene	586-96-9	C6H5NO	`nitrosobenzene`
nutty pyrazine	23747-48-0	C8H10N2	`nutty-pyrazine`
O-((Aminoiminomethyl)amino)homoserine	13269-28-8	C5H12N4O3	`o-aminoiminomethylaminohomoserine`
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-Dinitrobenzene	528-29-0	C6H4N2O4	`o-dinitrobenzene`
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-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 isocyanate	614-68-6	C8H7NO	`o-tolyl-isocyanate`
o-Tolylurea	614-77-7	C8H10N2O	`o-tolylurea`
o-Xylene	95-47-6	C8H10	`o-xylene`
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`
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`
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`

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.