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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Showing 801–880 of 1,613 · formula C5–C8 · page 11/21
| Target | CAS | Formula | Slug |
|---|---|---|---|
| Asym-O-Xylenol | 95-65-8 | C8H10O | asym-o-xylenol |
| azepan-2-one | 105-60-2 | C6H11NO | azepan-2-one |
| Azidobenzene | 622-37-7 | C6H5N3 | azidobenzene |
| Azobase DCA | 95-82-9 | C6H5Cl2N | azobase-dca |
| Azocane | 1121-92-2 | C7H15N | azocane |
| barbital | 57-44-3 | C8H12N2O3 | barbital |
| bemegride | 64-65-3 | C8H13NO2 | bemegride |
| Benzal chloride | 98-87-3 | C7H6Cl2 | benzal-chloride |
| Benzaldehyde | 100-52-7 | C7H6O | benzaldehyde |
| Benzene | 71-43-2 | C6H6 | benzene |
| Benzene-m-disulphonate | 22713-46-8 | C6H4O6S2-2 | benzene-m-disulphonate |
| Benzenesulfonyl Chloride | 98-09-9 | C6H5ClO2S | benzenesulfonyl-chloride |
| benzo[b]thiophen-2-ylboronic acid | 98437-23-1 | C8H7BO2S | benzobthiophen-2-ylboronic-acid |
| Benzoic Acid | 65-85-0 | C7H6O2 | benzoic-acid |
| Benzonitrile | 100-47-0 | C7H5N | benzonitrile |
| Benzothiadiazole | 273-77-8 | C6H4N2S | benzothiadiazole |
| Benzoyl Cyanide | 613-90-1 | C8H5NO | benzoyl-cyanide |
| Benzoylformic Acid | 611-73-4 | C8H6O3 | benzoylformic-acid |
| Benzoylthiourea | 614-23-3 | C8H8N2OS | benzoylthiourea |
| Benzyl Alcohol | 100-51-6 | C7H8O | benzyl-alcohol |
| Benzyl Carbamate | 621-84-1 | C8H9NO2 | benzyl-carbamate |
| Benzyl formate | 104-57-4 | C8H8O2 | benzyl-formate |
| Benzyl thiocyanate | 3012-37-1 | C8H7NS | benzyl-thiocyanate |
| Benzylurea | 538-32-9 | C8H10N2O | benzylurea |
| beta-D-Glucosamine | 14257-69-3 | C6H13NO5 | beta-d-glucosamine |
| Bidd:gt0097 | 36157-40-1 | C6H4Cl2OS | biddgt0097 |
| Bidd:gt0108 | 4519-40-8 | C6H5F2N | biddgt0108 |
| Biisobutyl | 592-13-2 | C8H18 | biisobutyl |
| Biisopropenyl | 513-81-5 | C6H10 | biisopropenyl |
| Bimethallyl | 627-58-7 | C8H14 | bimethallyl |
| bioxazoline | 36697-72-0 | C6H8N2O2 | bioxazoline |
| Bipropargyl | 628-16-0 | C6H6 | bipropargyl |
| Bis(2-chloroethyl) carbonate | 623-97-2 | C5H8Cl2O3 | bis2-chloroethyl-carbonate |
| Bis(2-ethoxyethyl)amine | 124-21-0 | C8H19NO2 | bis2-ethoxyethylamine |
| Bis(2-Methoxyethyl)amine | 111-95-5 | C6H15NO2 | bis2-methoxyethylamine |
| Bis(3-aminopropyl)methylamine | 105-83-9 | C7H19N3 | bis3-aminopropylmethylamine |
| Bis(4-chlorobutyl) ether | 6334-96-9 | C8H16Cl2O | bis4-chlorobutyl-ether |
| Bis(dimethyl(vinyl)silyl)amine | 7691-02-3 | C8H19NSi2 | bisdimethylvinylsilylamine |
| Bis(trimethylsilyl)methane | 2117-28-4 | C7H20Si2 | bistrimethylsilylmethane |
| Bis(vinylsulfonyl)methane | 3278-22-6 | C5H8O4S2 | bisvinylsulfonylmethane |
| Bisvinyltetramethyldisiloxane | 2627-95-4 | C8H18OSi2 | bisvinyltetramethyldisiloxane |
| Bitoscanate | 4044-65-9 | C8H4N2S2 | bitoscanate |
| Bnpotxlwpzoesz-Rxmqykedsa- | 60456-22-6 | C6H11ClO2 | bnpotxlwpzoesz-rxmqykedsa |
| Bobel 24 | 609-23-4 | C6H3I3O | bobel-24 |
| Bp-21497 | 355-74-8 | C6H6F8O2 | bp-21497 |
| Brn 0002048 | 5407-87-4 | C7H10N2 | brn-0002048 |
| Brn 0079885 | 1119702-25-8 | C6H14N2 | brn-0079885 |
| Brn 1245050 | 99-28-5 | C6H3Br2NO3 | brn-1245050 |
| Brn 1879348 | 586-11-8 | C6H4N2O5 | brn-1879348 |
| Brn 2048034 | 446-35-5 | C6H3F2NO2 | brn-2048034 |
| Brn 2211951 | 17700-09-3 | C6H2Cl3NO2 | brn-2211951 |
| Bromobenzene | 108-86-1 | C6H5Br | bromobenzene |
| Bromocyclohexane | 108-85-0 | C6H11Br | bromocyclohexane |
| Bromocyclooctane | 1556-09-8 | C8H15Br | bromocyclooctane |
| busulfan | 55-98-1 | C6H14O6S2 | busulfan |
| Butanetetracarboxylic acid | 1703-58-8 | C8H10O8 | butanetetracarboxylic-acid |
| Butoxyacetic acid | 2516-93-0 | C6H12O3 | butoxyacetic-acid |
| butyl 2-chloroacetate | 590-02-3 | C6H11ClO2 | butyl-2-chloroacetate |
| Butyl Acrylate | 141-32-2 | C7H12O2 | butyl-acrylate |
| Butyl carbamate | 592-35-8 | C5H11NO2 | butyl-carbamate |
| Butyl chloroformate | 592-34-7 | C5H9ClO2 | butyl-chloroformate |
| Butyl ether | 142-96-1 | C8H18O | butyl-ether |
| Butyl Methacrylate | 97-88-1 | C8H14O2 | butyl-methacrylate |
| Butyl thioglycolate | 10047-28-6 | C6H12O2S | butyl-thioglycolate |
| Butylene carbonate | 4437-85-8 | C5H8O3 | butylene-carbonate |
| C6h12o4 | 7424-91-1 | C6H12O4 | c6h12o4 |
| C6h8n2o | 6622-92-0 | C6H8N2O | c6h8n2o |
| cadaverine | 462-94-2 | C5H14N2 | cadaverine |
| caffeine | 58-08-2 | C8H10N4O2 | caffeine |
| carnitinium | 406-76-8 | C7H16NO3+ | carnitinium |
| Carzenide | 138-41-0 | C7H7NO4S | carzenide |
| Cas-583-78-8 | 583-78-8 | C6H4Cl2O | cas-583-78-8 |
| Caswell No. 825 | 634-66-2 | C6H2Cl4 | caswell-no-825 |
| catechol | 120-80-9 | C6H6O2 | catechol |
| Chelidonic acid | 99-32-1 | C7H4O6 | chelidonic-acid |
| Chloraminophenamide | 121-30-2 | C6H8ClN3O4S2 | chloraminophenamide |
| Chlormequat | 7003-89-6 | C5H13ClN+ | chlormequat |
| Chloroacetaldehyde diethyl acetal | 621-62-5 | C6H13ClO2 | chloroacetaldehyde-diethyl-acetal |
| Chlorobenzene | 108-90-7 | C6H5Cl | chlorobenzene |
| Chlorocyclohexane | 542-18-7 | C6H11Cl | chlorocyclohexane |
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.