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 1–80 of 109 · letter B · page 1/2
| Target | CAS | Formula | Slug |
|---|---|---|---|
| barbital | 57-44-3 | C8H12N2O3 | barbital |
| Barbituric Acid | 67-52-7 | C4H4N2O3 | barbituric-acid |
| bemegride | 64-65-3 | C8H13NO2 | bemegride |
| Bentazone | 25057-89-0 | C10H12N2O3S | bentazone |
| 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 |
| benzo[b]thiophen-3-yl acetate | 24434-82-0 | C10H8O2S | benzobthiophen-3-yl-acetate |
| Benzoguanamine | 91-76-9 | C9H9N5 | benzoguanamine |
| 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 |
| Benzoylacetonitrile | 614-16-4 | C9H7NO | benzoylacetonitrile |
| Benzoylformic Acid | 611-73-4 | C8H6O3 | benzoylformic-acid |
| Benzoylthiourea | 614-23-3 | C8H8N2OS | benzoylthiourea |
| Benzyl 2-bromoacetate | 5437-45-6 | C9H9BrO2 | benzyl-2-bromoacetate |
| Benzyl 2-chloroethyl ether | 17229-17-3 | C9H11ClO | benzyl-2-chloroethyl-ether |
| Benzyl Acetate | 140-11-4 | C9H10O2 | benzyl-acetate |
| 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 monochloracetate | 140-18-1 | C9H9ClO2 | benzyl-monochloracetate |
| Benzyl thiocyanate | 3012-37-1 | C8H7NS | benzyl-thiocyanate |
| Benzyldimethylamine | 103-83-3 | C9H13N | benzyldimethylamine |
| Benzylidenemalononitrile | 2700-22-3 | C10H6N2 | benzylidenemalononitrile |
| Benzylmalonic acid | 616-75-1 | C10H10O4 | benzylmalonic-acid |
| Benzylurea | 538-32-9 | C8H10N2O | benzylurea |
| beta-alanine | 107-95-9 | C3H7NO2 | beta-alanine |
| beta-Butyrolactone | 3068-88-0 | C4H6O2 | beta-butyrolactone |
| beta-D-Glucosamine | 14257-69-3 | C6H13NO5 | beta-d-glucosamine |
| beta-Dichlorohydrin | 616-23-9 | C3H6Cl2O | beta-dichlorohydrin |
| beta-Tetralone | 530-93-8 | C10H10O | beta-tetralone |
| beta-Thujone | 471-15-8 | C10H16O | beta-thujone |
| Bicyclopentyl | 1636-39-1 | C10H18 | bicyclopentyl |
| 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 |
| Bipyridine | 366-18-7 | C10H8N2 | bipyridine |
| Bis(2-chloroethyl) carbonate | 623-97-2 | C5H8Cl2O3 | bis2-chloroethyl-carbonate |
| Bis(2-Chloroethyl) Ether | 111-44-4 | C4H8Cl2O | bis2-chloroethyl-ether |
| Bis(2-ethoxyethyl)amine | 124-21-0 | C8H19NO2 | bis2-ethoxyethylamine |
| Bis(2-mercaptoethyl) sulfide | 3570-55-6 | C4H10S3 | bis2-mercaptoethyl-sulfide |
| Bis(2-Methoxyethyl)amine | 111-95-5 | C6H15NO2 | bis2-methoxyethylamine |
| Bis(2-trichloroethyl) chlorophosphonate | 17672-53-6 | C4H4Cl7O3P | bis2-trichloroethyl-chlorophosphonate |
| Bis(3-aminopropyl)methylamine | 105-83-9 | C7H19N3 | bis3-aminopropylmethylamine |
| Bis(4-chlorobutyl) ether | 6334-96-9 | C8H16Cl2O | bis4-chlorobutyl-ether |
| Bis(chloromethyl) sulfide | 3592-44-7 | C2H4Cl2S | bischloromethyl-sulfide |
| Bis(chloromethyl)dimethylsilane | 2917-46-6 | C4H10Cl2Si | bischloromethyldimethylsilane |
| Bis(dimethyl(vinyl)silyl)amine | 7691-02-3 | C8H19NSi2 | bisdimethylvinylsilylamine |
| Bis(methylthio)methane | 1618-26-4 | C3H8S2 | bismethylthiomethane |
| 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 |
| Boron Methoxyethoxide | 98958-21-5 | C9H21BO6 | boron-methoxyethoxide |
| 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 |
| Bromoacetic Acid | 79-08-3 | C2H3BrO2 | bromoacetic-acid |
| Bromoacetyl bromide | 598-21-0 | C2H2Br2O | bromoacetyl-bromide |
| Bromoacetyl chloride | 22118-09-8 | C2H2BrClO | bromoacetyl-chloride |
| Bromobenzene | 108-86-1 | C6H5Br | bromobenzene |
| Bromocyclohexane | 108-85-0 | C6H11Br | bromocyclohexane |
| Bromocyclooctane | 1556-09-8 | C8H15Br | bromocyclooctane |
| Bromocyclopropane | 4333-56-6 | C3H5Br | bromocyclopropane |
| bromodeoxyuridine (brdu) | 59-14-3 | C9H11BrN2O5 | bromodeoxyuridine-brdu |
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.