| [ |
| { |
| "name": "(2R,3S,4S,5S,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol", |
| "cas": "10357-27-4", |
| "smiles": "C1C([N+]([O-])=O)=CC=C(O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)C=1", |
| "formula": "C12H15NO8" |
| }, |
| { |
| "name": "(3,4-Ethylenedioxy)aniline", |
| "cas": "22013-33-8", |
| "smiles": "C1COC2=C(O1)C=CC(=C2)N", |
| "formula": "C8H9NO2" |
| }, |
| { |
| "name": "(S)-(-)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl", |
| "cas": "76189-56-5", |
| "smiles": "C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8", |
| "formula": "C44H32P2" |
| }, |
| { |
| "name": "(S)-(+)-2-Amino-2-phenylethanol", |
| "cas": "20989-17-7", |
| "smiles": "C1=CC=C(C=C1)[C@@H](CO)N", |
| "formula": "C8H11NO" |
| }, |
| { |
| "name": "1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide HCl (EDC.HCl)", |
| "cas": "25952-53-8", |
| "smiles": "CCN=C=NCCCN(C)C.Cl", |
| "formula": "C8H18ClN3" |
| }, |
| { |
| "name": "1-Hydroxybenzotriazole hydrate", |
| "cas": "123333-53-9", |
| "smiles": "C1=CC=C2C(=C1)N=NN2O.O", |
| "formula": "C6H7N3O2" |
| }, |
| { |
| "name": "1-Methoxy-4-nitronaphthalene", |
| "cas": "4900-63-4", |
| "smiles": "COC1=CC=C(C2=CC=CC=C21)[N+](=O)[O-]", |
| "formula": "C11H9NO3" |
| }, |
| { |
| "name": "1-Methylpiperazine", |
| "cas": "109-01-3", |
| "smiles": "CN1CCNCC1", |
| "formula": "C5H12N2" |
| }, |
| { |
| "name": "1-naphthalen-2-ylpiperazine", |
| "cas": "57536-91-1", |
| "smiles": "C1CN(CCN1)C2=CC3=CC=CC=C3C=C2", |
| "formula": "C14H16N2" |
| }, |
| { |
| "name": "1-Nitrohexane", |
| "cas": "646-14-0", |
| "smiles": "CCCCCC[N+](=O)[O-]", |
| "formula": "C6H13NO2" |
| }, |
| { |
| "name": "1-Nonyne", |
| "cas": "3452-09-3", |
| "smiles": "CCCCCCCC#C", |
| "formula": "C9H16" |
| }, |
| { |
| "name": "1,2-Dibromoethane", |
| "cas": "106-93-4", |
| "smiles": "C(CBr)Br", |
| "formula": "C2H4Br2" |
| }, |
| { |
| "name": "1,2-Diethoxycyclobutenedione", |
| "cas": "5231-87-8", |
| "smiles": "CCOC1=C(C(=O)C1=O)OCC", |
| "formula": "C8H10O4" |
| }, |
| { |
| "name": "1,2-Dimethoxybenzene", |
| "cas": "91-16-7", |
| "smiles": "COC1=CC=CC=C1OC", |
| "formula": "C8H10O2" |
| }, |
| { |
| "name": "1,2-Phenylene diamine", |
| "cas": "95-54-5", |
| "smiles": "C1=CC=C(C(=C1)N)N", |
| "formula": "C6H8N2" |
| }, |
| { |
| "name": "1,2,3,4-Tetrahydroquinoline", |
| "cas": "635-46-1", |
| "smiles": "C1CC2=CC=CC=C2NC1", |
| "formula": "C9H11N" |
| }, |
| { |
| "name": "1,4-Cyclohexanedione", |
| "cas": "637-88-7", |
| "smiles": "C1CC(=O)CCC1=O", |
| "formula": "C6H8O2" |
| }, |
| { |
| "name": "1,4-Dioxane", |
| "cas": "123-91-1", |
| "smiles": "C1COCCO1", |
| "formula": "C4H8O2" |
| }, |
| { |
| "name": "1,8-Diazabicyclo[5.4.0]undec-7-ene", |
| "cas": "6674-22-2", |
| "smiles": "C1CCC2=NCCCN2CC1", |
| "formula": "C9H16N2" |
| }, |
| { |
| "name": "1,8-Napthalic anhydride", |
| "cas": "81-84-5", |
| "smiles": "C1=CC2=C3C(=C1)C(=O)OC(=O)C3=CC=C2", |
| "formula": "C12H6O3" |
| }, |
| { |
| "name": "1H-pyrazole", |
| "cas": "288-13-1", |
| "smiles": "C1=CNN=C1", |
| "formula": "C3H4N2" |
| }, |
| { |
| "name": "2-(aminomethyl)pyridine", |
| "cas": "3731-01-9", |
| "smiles": "N1C=CC=CC=1CN", |
| "formula": "C6H8N2" |
| }, |
| { |
| "name": "2-Aminobenzonitrile", |
| "cas": "1885-29-6", |
| "smiles": "C1=CC=C(C(=C1)C#N)N", |
| "formula": "C7H6N2" |
| }, |
| { |
| "name": "2-Aminobenzotrifluoride", |
| "cas": "88-17-5", |
| "smiles": "C1=CC=C(C(=C1)C(F)(F)F)N", |
| "formula": "C7H6F3N" |
| }, |
| { |
| "name": "2-Aminophenol", |
| "cas": "95-55-6", |
| "smiles": "C1=CC=C(C(=C1)N)O", |
| "formula": "C6H7NO" |
| }, |
| { |
| "name": "2-bromoaniline", |
| "cas": "615-36-1", |
| "smiles": "C1=CC=C(C(=C1)N)Br", |
| "formula": "C6H6BrN" |
| }, |
| { |
| "name": "2-bromothiophene", |
| "cas": "1003-09-4", |
| "smiles": "C1=CSC(=C1)Br", |
| "formula": "C4H3BrS" |
| }, |
| { |
| "name": "2-Chloroaniline", |
| "cas": "95-51-2", |
| "smiles": "C1=CC=C(C(=C1)N)Cl", |
| "formula": "C6H6ClN" |
| }, |
| { |
| "name": "2-Chlorobenzaldehyde", |
| "cas": "89-98-5", |
| "smiles": "C1=CC=C(C(=C1)C=O)Cl", |
| "formula": "C7H5ClO" |
| }, |
| { |
| "name": "2-Dicyclohexylphosphino-2',4',6'-tri-iso-propyl-1,1'-biphenyl (Xphos)", |
| "cas": "564483-18-7", |
| "smiles": "CC(C1C=C(C(C)C)C(C2C(P(C3CCCCC3)C3CCCCC3)=CC=CC=2)=C(C(C)C)C=1)C", |
| "formula": "C33H49P" |
| }, |
| { |
| "name": "2-Fluoroaniline", |
| "cas": "348-54-9", |
| "smiles": "C1=CC=C(C(=C1)N)F", |
| "formula": "C6H6FN" |
| }, |
| { |
| "name": "2-fluorobenzylbromide", |
| "cas": "446-48-0", |
| "smiles": "C1=CC=C(C(=C1)CBr)F", |
| "formula": "C7H6BrF" |
| }, |
| { |
| "name": "2-Furoyl chloride", |
| "cas": "527-69-5", |
| "smiles": "C1=COC(=C1)C(=O)Cl", |
| "formula": "C5H3ClO2" |
| }, |
| { |
| "name": "2-Hydroxy-5-methoxybenzaldehyde", |
| "cas": "672-13-9", |
| "smiles": "COC1=CC(=C(C=C1)O)C=O", |
| "formula": "C8H8O3" |
| }, |
| { |
| "name": "2-Iodoaniline", |
| "cas": "615-43-0", |
| "smiles": "C1=CC=C(C(=C1)N)I", |
| "formula": "C6H6IN" |
| }, |
| { |
| "name": "2-Nitroaniline", |
| "cas": "88-74-4", |
| "smiles": "C1=CC=C(C(=C1)N)[N+](=O)[O-]", |
| "formula": "C6H6N2O2" |
| }, |
| { |
| "name": "2,2-Dimethyl-1,3-dioxane-4,6-dione", |
| "cas": "2033-24-1", |
| "smiles": "O=C1OC(C)(C)OC(C1)=O", |
| "formula": "C6H8O4" |
| }, |
| { |
| "name": "2,2'-Dinaphthylamine", |
| "cas": "532-18-3", |
| "smiles": "C1=CC=C2C=C(C=CC2=C1)NC3=CC4=CC=CC=C4C=C3", |
| "formula": "C20H15N" |
| }, |
| { |
| "name": "2,3-Dichloro-5,6-dicyanobenzoquinone (DDQ)", |
| "cas": "84-58-2", |
| "smiles": "C(#N)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N", |
| "formula": "C8Cl2N2O2" |
| }, |
| { |
| "name": "2,3-Dihydrofuran", |
| "cas": "1191-99-7", |
| "smiles": "C1COC=C1", |
| "formula": "C4H6O" |
| }, |
| { |
| "name": "2,4-Thiazolidinedione", |
| "cas": "2295-31-0", |
| "smiles": "C1C(=O)NC(=O)S1", |
| "formula": "C3H3NO2S" |
| }, |
| { |
| "name": "2,4,6-Trimethylaniline", |
| "cas": "88-05-1", |
| "smiles": "CC1=CC(=C(C(=C1)C)N)C", |
| "formula": "C9H13N" |
| }, |
| { |
| "name": "2,5-Dihydroxybenzaldehyde", |
| "cas": "1194-98-5", |
| "smiles": "C1=CC(=C(C=C1O)C=O)O", |
| "formula": "C7H6O3" |
| }, |
| { |
| "name": "2'-Hydroxyacetophenone", |
| "cas": "118-93-4", |
| "smiles": "CC(C1=CC=CC=C1O)=O", |
| "formula": "C8H8O2" |
| }, |
| { |
| "name": "3 A molecular sieves", |
| "cas": "308080-99-1", |
| "smiles": "CC.CC.CCC.CC.CCC(CC)(C)C.CC.CC.CC.CC.CC.CC.CC.CCC.CC(C(CC)(CC)CC)C", |
| "formula": "C43H114" |
| }, |
| { |
| "name": "3-Aminobenzonitrile", |
| "cas": "2237-30-1", |
| "smiles": "C1=CC(=CC(=C1)N)C#N", |
| "formula": "C7H6N2" |
| }, |
| { |
| "name": "3-aminobenzotrifluoride", |
| "cas": "98-16-8", |
| "smiles": "C1=CC(=CC(=C1)N)C(F)(F)F", |
| "formula": "C7H6F3N" |
| }, |
| { |
| "name": "3-Aminophenol", |
| "cas": "591-27-5", |
| "smiles": "C1=CC(=CC(=C1)O)N", |
| "formula": "C6H7NO" |
| }, |
| { |
| "name": "3-Bromo-4-pyridinecarboxaldehyde", |
| "cas": "70201-43-3", |
| "smiles": "C1=CN=CC(=C1C=O)Br", |
| "formula": "C6H4BrNO" |
| }, |
| { |
| "name": "3-Bromoaniline", |
| "cas": "591-19-5", |
| "smiles": "C1=CC(=CC(=C1)Br)N", |
| "formula": "C6H6BrN" |
| }, |
| { |
| "name": "3-Bromobenzaldehyde", |
| "cas": "3132-99-8", |
| "smiles": "C1=CC(=CC(=C1)Br)C=O", |
| "formula": "C7H5BrO" |
| }, |
| { |
| "name": "3-Bromobenzylamine hydrochloride", |
| "cas": "39959-54-1", |
| "smiles": "C1=CC(=CC(=C1)Br)CN.Cl", |
| "formula": "C7H9BrClN" |
| }, |
| { |
| "name": "3-Bromobenzylmagnesium bromide (0.25 M in Ether)", |
| "cas": "107549-22-4", |
| "smiles": "[CH2-]C1=CC(=CC=C1)Br.[Mg+2].[Br-]", |
| "formula": "C7H6Br2Mg" |
| }, |
| { |
| "name": "3-Chloro-4-methoxybenzylamine hydrochloride", |
| "cas": "41965-95-1", |
| "smiles": "COC1=C(C=C(C=C1)CN)Cl.Cl", |
| "formula": "C8H11Cl2NO" |
| }, |
| { |
| "name": "3-Chloroaniline", |
| "cas": "108-42-9", |
| "smiles": "C1=CC(=CC(=C1)Cl)N", |
| "formula": "C6H6ClN" |
| }, |
| { |
| "name": "3-Chlorobenzylamine", |
| "cas": "4152-90-3", |
| "smiles": "C1=CC(=CC(=C1)Cl)CN", |
| "formula": "C7H8ClN" |
| }, |
| { |
| "name": "3-Chloroperoxybenzoic acid (mCPBA)", |
| "cas": "937-14-4", |
| "smiles": "C1=CC(=CC(=C1)Cl)C(=O)OO", |
| "formula": "C7H5ClO3" |
| }, |
| { |
| "name": "3-Fluoro benzaldehyde", |
| "cas": "456-48-4", |
| "smiles": "C1=CC(=CC(=C1)F)C=O", |
| "formula": "C7H5FO" |
| }, |
| { |
| "name": "3-Fluoroaniline", |
| "cas": "372-19-0", |
| "smiles": "C1=CC(=CC(=C1)F)N", |
| "formula": "C6H6FN" |
| }, |
| { |
| "name": "3-Iodoaniline", |
| "cas": "626-01-7", |
| "smiles": "C1=CC(=CC(=C1)I)N", |
| "formula": "C6H6IN" |
| }, |
| { |
| "name": "3-Methoxyaniline", |
| "cas": "536-90-3", |
| "smiles": "COC1=CC=CC(=C1)N", |
| "formula": "C7H9NO" |
| }, |
| { |
| "name": "3-Nitroaniline", |
| "cas": "99-09-2", |
| "smiles": "C1=CC(=CC(=C1)[N+](=O)[O-])N", |
| "formula": "C6H6N2O2" |
| }, |
| { |
| "name": "3-Phenoxybenzyl alcohol", |
| "cas": "13826-35-2", |
| "smiles": "C1=CC=C(C=C1)OC2=CC=CC(=C2)CO", |
| "formula": "C13H12O2" |
| }, |
| { |
| "name": "3,4-(Methylenedioxy)aniline", |
| "cas": "14268-66-7", |
| "smiles": "C1OC2=C(O1)C=C(C=C2)N", |
| "formula": "C7H7NO2" |
| }, |
| { |
| "name": "3,4-Dimethoxy-3-cyclobutene-1,2-dione", |
| "cas": "5222-73-1", |
| "smiles": "COC1=C(C(=O)C1=O)OC", |
| "formula": "C6H6O4" |
| }, |
| { |
| "name": "3,5-bis (Trifluoromethyl) aniline", |
| "cas": "328-74-5", |
| "smiles": "C1=C(C=C(C=C1C(F)(F)F)N)C(F)(F)F", |
| "formula": "C8H5F6N" |
| }, |
| { |
| "name": "4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline", |
| "cas": "214360-73-3", |
| "smiles": "B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N", |
| "formula": "C12H18BNO2" |
| }, |
| { |
| "name": "4-(Methylsulfonyl)aniline", |
| "cas": "5470-49-5", |
| "smiles": "CS(=O)(=O)C1=CC=C(C=C1)N", |
| "formula": "C7H9NO2S" |
| }, |
| { |
| "name": "4-(tert-Butyl)-o-phenylenediamine", |
| "cas": "68176-57-8", |
| "smiles": "CC(C)(C)C1=CC(=C(C=C1)N)N", |
| "formula": "C10H16N2" |
| }, |
| { |
| "name": "4-(trifluoromethyl)aniline", |
| "cas": "455-14-1", |
| "smiles": "C1=CC(=CC=C1C(F)(F)F)N", |
| "formula": "C7H6F3N" |
| }, |
| { |
| "name": "4-Aminobenzoic acid", |
| "cas": "150-13-0", |
| "smiles": "C1=CC(=CC=C1C(=O)O)N", |
| "formula": "C7H7NO2" |
| }, |
| { |
| "name": "4-Aminobenzonitrile", |
| "cas": "873-74-5", |
| "smiles": "C1=CC(N)=CC=C1C#N", |
| "formula": "C7H6N2" |
| }, |
| { |
| "name": "4-Aminobenzyl alcohol", |
| "cas": "623-04-1", |
| "smiles": "C1=CC(=CC=C1CO)N", |
| "formula": "C7H9NO" |
| }, |
| { |
| "name": "4-Aminophenol", |
| "cas": "123-30-8", |
| "smiles": "C1=CC(=CC=C1N)O", |
| "formula": "C6H7NO" |
| }, |
| { |
| "name": "4-Bromo-1,2-benzenediamine", |
| "cas": "1575-37-7", |
| "smiles": "C1=CC(=C(C=C1Br)N)N", |
| "formula": "C6H7BrN2" |
| }, |
| { |
| "name": "4-bromo-1,4-napthalic anhydride", |
| "cas": "81-86-7", |
| "smiles": "C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br", |
| "formula": "C12H5BrO3" |
| }, |
| { |
| "name": "4-Bromo-N-methylbenzylamine", |
| "cas": "699-03-6", |
| "smiles": "CNCC1=CC=C(C=C1)Br", |
| "formula": "C8H10BrN" |
| }, |
| { |
| "name": "4-bromoaniline", |
| "cas": "106-40-1", |
| "smiles": "NC1=CC=C(Br)C=C1", |
| "formula": "C6H6BrN" |
| }, |
| { |
| "name": "4-Bromobenzenesulfonyl chloride", |
| "cas": "98-58-8", |
| "smiles": "C1=CC(=CC=C1S(=O)(=O)Cl)Br", |
| "formula": "C6H4BrClO2S" |
| }, |
| { |
| "name": "4-Bromobenzylamine", |
| "cas": "3959-07-7", |
| "smiles": "C1=CC(=CC=C1CN)Br", |
| "formula": "C7H8BrN" |
| }, |
| { |
| "name": "4-Bromoindole", |
| "cas": "52488-36-5", |
| "smiles": "C1=CC2=C(C=CN2)C(=C1)Br", |
| "formula": "C8H6BrN" |
| }, |
| { |
| "name": "4-Chloroaniline", |
| "cas": "106-47-8", |
| "smiles": "C1=CC(=CC=C1N)Cl", |
| "formula": "C6H6ClN" |
| }, |
| { |
| "name": "4-Chlorobenzylamine", |
| "cas": "104-86-9", |
| "smiles": "C1=CC(=CC=C1CN)Cl", |
| "formula": "C7H8ClN" |
| }, |
| { |
| "name": "4-Dimethylaminopyridine (DMAP)", |
| "cas": "1122-58-3", |
| "smiles": "CN(C)C1=CC=NC=C1", |
| "formula": "C7H10N2" |
| }, |
| { |
| "name": "4-fluoroaniline", |
| "cas": "371-40-4", |
| "smiles": "C1=CC(=CC=C1N)F", |
| "formula": "C6H6FN" |
| }, |
| { |
| "name": "4-Hydroxybenzylamine", |
| "cas": "696-60-6", |
| "smiles": "C1=CC(=CC=C1CN)O", |
| "formula": "C7H9NO" |
| }, |
| { |
| "name": "4-iodoaniline", |
| "cas": "540-37-4", |
| "smiles": "C1=CC(=CC=C1N)I", |
| "formula": "C6H6IN" |
| }, |
| { |
| "name": "4-Methoxy-N-methylaniline", |
| "cas": "5961-59-1", |
| "smiles": "CNC1=CC=C(C=C1)OC", |
| "formula": "C8H11NO" |
| }, |
| { |
| "name": "4-Methoxybenzyl chloride", |
| "cas": "824-94-2", |
| "smiles": "COC1=CC=C(C=C1)CCl", |
| "formula": "C8H9ClO" |
| }, |
| { |
| "name": "4-Nitroaniline", |
| "cas": "100-01-6", |
| "smiles": "C1=CC(=CC=C1N)[N+](=O)[O-]", |
| "formula": "C6H6N2O2" |
| }, |
| { |
| "name": "4-phenoxyaniline", |
| "cas": "139-59-3", |
| "smiles": "C1=CC=C(C=C1)OC2=CC=C(C=C2)N", |
| "formula": "C12H11NO" |
| }, |
| { |
| "name": "4-tert-Butylaniline", |
| "cas": "769-92-6", |
| "smiles": "CC(C)(C)C1=CC=C(C=C1)N", |
| "formula": "C10H15N" |
| }, |
| { |
| "name": "4,4-Dimethyldiphenylamine", |
| "cas": "620-93-9", |
| "smiles": "CC1=CC=C(C=C1)NC2=CC=C(C=C2)C", |
| "formula": "C14H15N" |
| }, |
| { |
| "name": "4,4'-Dimethoxydiphenylamine", |
| "cas": "101-70-2", |
| "smiles": "COC1=CC=C(C=C1)NC2=CC=C(C=C2)OC", |
| "formula": "C14H15NO2" |
| }, |
| { |
| "name": "4,5-dibromobenzene-1,2-diamine", |
| "cas": "49764-63-8", |
| "smiles": "C1=C(C(=CC(=C1Br)Br)N)N", |
| "formula": "C6H6Br2N2" |
| }, |
| { |
| "name": "4,7-Dibromo-2,1,3-benzothiadiazole", |
| "cas": "15155-41-6", |
| "smiles": "C1=C(C2=NSN=C2C(=C1)Br)Br", |
| "formula": "C6H2Br2N2S" |
| }, |
| { |
| "name": "8-Bromo-2,3-dihydro-4(1H)-quinolinone", |
| "cas": "38470-29-0", |
| "smiles": "C1CNC2=C(C1=O)C=CC=C2Br", |
| "formula": "C9H8BrNO" |
| }, |
| { |
| "name": "9-Borabicyclo[3.3.1]nonane (9-BBN) (0.5 M in THF)", |
| "cas": "280-64-8", |
| "smiles": "B1C2CCCC1CCC2", |
| "formula": "C8H15B" |
| }, |
| { |
| "name": "9-Bromofluorene", |
| "cas": "1940-57-4", |
| "smiles": "C1=CC=C2C(=C1)C(C3=CC=CC=C32)Br", |
| "formula": "C13H9Br" |
| }, |
| { |
| "name": "9-Fluorenylmethyl chloroformate (fmoc Chloride)", |
| "cas": "28920-43-6", |
| "smiles": "C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)Cl", |
| "formula": "C15H11ClO2" |
| }, |
| { |
| "name": "Acetonitrile", |
| "cas": "75-05-8", |
| "smiles": "CC#N", |
| "formula": "C2H3N" |
| }, |
| { |
| "name": "Acetophenone", |
| "cas": "98-86-2", |
| "smiles": "CC(=O)C1=CC=CC=C1", |
| "formula": "C8H8O" |
| }, |
| { |
| "name": "Allyl bromide", |
| "cas": "106-95-6", |
| "smiles": "C=CCBr", |
| "formula": "C3H5Br" |
| }, |
| { |
| "name": "Aluminum chloride, anhydrous", |
| "cas": "7446-70-0", |
| "smiles": "[Al](Cl)(Cl)Cl", |
| "formula": "AlCl3" |
| }, |
| { |
| "name": "Aluminum oxide", |
| "cas": "1344-28-1", |
| "smiles": "O=[Al]O[Al]=O", |
| "formula": "Al2O3" |
| }, |
| { |
| "name": "Ammonium acetate", |
| "cas": "631-61-8", |
| "smiles": "CC([O-])=O.[NH4+]", |
| "formula": "C2H7NO2" |
| }, |
| { |
| "name": "Aniline", |
| "cas": "62-53-3", |
| "smiles": "C1=CC=C(C=C1)N", |
| "formula": "C6H7N" |
| }, |
| { |
| "name": "Azetidine hydrochloride", |
| "cas": "36520-39-5", |
| "smiles": "C1CNC1.Cl", |
| "formula": "C3H8ClN" |
| }, |
| { |
| "name": "Benzaldehyde", |
| "cas": "100-52-7", |
| "smiles": "C1=CC=C(C=C1)C=O", |
| "formula": "C7H6O" |
| }, |
| { |
| "name": "Benzenesulfonyl chloride", |
| "cas": "98-09-9", |
| "smiles": "C1=CC=C(C=C1)S(=O)(=O)Cl", |
| "formula": "C6H5ClO2S" |
| }, |
| { |
| "name": "Benzoyl chloride", |
| "cas": "98-88-4", |
| "smiles": "C1=CC=C(C=C1)C(=O)Cl", |
| "formula": "C7H5ClO" |
| }, |
| { |
| "name": "Benzoyl peroxide", |
| "cas": "94-36-0", |
| "smiles": "C1=CC=C(C=C1)C(=O)OOC(=O)C2=CC=CC=C2", |
| "formula": "C14H10O4" |
| }, |
| { |
| "name": "Benzyl bromide", |
| "cas": "100-39-0", |
| "smiles": "C1=CC=C(C=C1)CBr", |
| "formula": "C7H7Br" |
| }, |
| { |
| "name": "Benzylamine", |
| "cas": "100-46-9", |
| "smiles": "C1=CC=C(C=C1)CN", |
| "formula": "C7H9N" |
| }, |
| { |
| "name": "Biphenyl-4-sulfonyl chloride", |
| "cas": "1623-93-4", |
| "smiles": "C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl", |
| "formula": "C12H9ClO2S" |
| }, |
| { |
| "name": "Bis(dibenzylideneacetone)palladium(0) (Pd(dba)2)", |
| "cas": "32005-36-0", |
| "smiles": "C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd]", |
| "formula": "C34H28O2Pd" |
| }, |
| { |
| "name": "Boron tribromide", |
| "cas": "10294-33-4", |
| "smiles": "B(Br)(Br)Br", |
| "formula": "BBr3" |
| }, |
| { |
| "name": "Bromobenzene", |
| "cas": "108-86-1", |
| "smiles": "C1C=CC(Br)=CC=1", |
| "formula": "C6H5Br" |
| }, |
| { |
| "name": "Carbon tetrabromide", |
| "cas": "558-13-4", |
| "smiles": "C(Br)(Br)(Br)Br", |
| "formula": "CBr4" |
| }, |
| { |
| "name": "Cesium carbonate", |
| "cas": "534-17-8", |
| "smiles": "C(=O)([O-])[O-].[Cs+].[Cs+]", |
| "formula": "CCs2O3" |
| }, |
| { |
| "name": "Chloroform D", |
| "cas": "865-49-6", |
| "smiles": "[2H]C(Cl)(Cl)Cl", |
| "formula": "CDCl3" |
| }, |
| { |
| "name": "Chlorosulfonic acid", |
| "cas": "7790-94-5", |
| "smiles": "OS(=O)(=O)Cl", |
| "formula": "ClHO3S" |
| }, |
| { |
| "name": "Chlorotrimethylsilane", |
| "cas": "75-77-4", |
| "smiles": "C[Si](C)(C)Cl", |
| "formula": "C3H9ClSi" |
| }, |
| { |
| "name": "cis-2,6-Dimethylmorpholine", |
| "cas": "6485-55-8", |
| "smiles": "C[C@@H]1CNC[C@@H](O1)C", |
| "formula": "C6H13NO" |
| }, |
| { |
| "name": "copper(II) chloride hydrate", |
| "cas": "10125-13-0", |
| "smiles": "O.O.Cl[Cu]Cl", |
| "formula": "Cl2CuH4O2" |
| }, |
| { |
| "name": "Cyclohexane-1,2-diamine", |
| "cas": "694-83-7", |
| "smiles": "C1CCC(C(C1)N)N", |
| "formula": "C6H14N2" |
| }, |
| { |
| "name": "Cyclopentyl methyl ether", |
| "cas": "5614-37-9", |
| "smiles": "COC1CCCC1", |
| "formula": "C6H12O" |
| }, |
| { |
| "name": "DCE", |
| "cas": "107-06-2", |
| "smiles": "C(CCl)Cl", |
| "formula": "C2H4Cl2" |
| }, |
| { |
| "name": "Dichloromethane", |
| "cas": "75-09-2", |
| "smiles": "C(Cl)Cl", |
| "formula": "CH2Cl2" |
| }, |
| { |
| "name": "diethyl ether", |
| "cas": "60-29-7", |
| "smiles": "CCOCC", |
| "formula": "C4H10O" |
| }, |
| { |
| "name": "Diisopropylamine", |
| "cas": "108-18-9", |
| "smiles": "CC(C)NC(C)C", |
| "formula": "C6H15N" |
| }, |
| { |
| "name": "Dimethylformamide", |
| "cas": "68-12-2", |
| "smiles": "CN(C=O)C", |
| "formula": "C3H7NO" |
| }, |
| { |
| "name": "Dimethylsulfoxide", |
| "cas": "67-68-5", |
| "smiles": "CS(=O)C", |
| "formula": "C2H6OS" |
| }, |
| { |
| "name": "Dimethylsulphoxide D6 TMS", |
| "cas": "2206-27-1", |
| "smiles": "[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]", |
| "formula": "C2D6OS" |
| }, |
| { |
| "name": "diphenylamine", |
| "cas": "122-39-4", |
| "smiles": "C1=CC=C(C=C1)NC2=CC=CC=C2", |
| "formula": "C12H11N" |
| }, |
| { |
| "name": "Diphenyliodonium hexafluorophosphate", |
| "cas": "58109-40-3", |
| "smiles": "C1=CC=C(C=C1)[I+]C2=CC=CC=C2.F[P-](F)(F)(F)(F)F", |
| "formula": "C12H10F6IP" |
| }, |
| { |
| "name": "Ethyl 2,2-diethoxyacetate", |
| "cas": "6065-82-3", |
| "smiles": "CCOC(C(=O)OCC)OCC", |
| "formula": "C8H16O4" |
| }, |
| { |
| "name": "Ethyl acetate", |
| "cas": "141-78-6", |
| "smiles": "CCOC(=O)C", |
| "formula": "C4H8O2" |
| }, |
| { |
| "name": "Ethylamine hydrochloride", |
| "cas": "557-66-4", |
| "smiles": "CCN.Cl", |
| "formula": "C2H8ClN" |
| }, |
| { |
| "name": "Fluorene", |
| "cas": "86-73-7", |
| "smiles": "C1C2=CC=CC=C2C3=CC=CC=C31", |
| "formula": "C13H10" |
| }, |
| { |
| "name": "Fluorene-2-carboxaldehyde", |
| "cas": "30084-90-3", |
| "smiles": "C1C2=CC=CC=C2C3=C1C=C(C=C3)C=O", |
| "formula": "C14H10O" |
| }, |
| { |
| "name": "Furan", |
| "cas": "110-00-9", |
| "smiles": "C1=COC=C1", |
| "formula": "C4H4O" |
| }, |
| { |
| "name": "HATU", |
| "cas": "148893-10-1", |
| "smiles": "CN(/C(/N1N=[N+]([O-])C2N=CC=CC1=2)=[N+](/C)\\C)C.F[P-](F)(F)(F)(F)F", |
| "formula": "C10H15F6N6OP" |
| }, |
| { |
| "name": "Hydrazine hydrate", |
| "cas": "7803-57-8", |
| "smiles": "NN.O", |
| "formula": "H6N2O" |
| }, |
| { |
| "name": "Hydrochloric Acid / Dioxane (3.7 - 4.3 M)", |
| "cas": "7647-01-0", |
| "smiles": "Cl", |
| "formula": "ClH" |
| }, |
| { |
| "name": "Hydrocinnamoyl chloride", |
| "cas": "645-45-4", |
| "smiles": "C1=CC=C(C=C1)CCC(=O)Cl", |
| "formula": "C9H9ClO" |
| }, |
| { |
| "name": "Hydroquinone", |
| "cas": "123-31-9", |
| "smiles": "C1=CC(=CC=C1O)O", |
| "formula": "C6H6O2" |
| }, |
| { |
| "name": "Imidazole", |
| "cas": "288-32-4", |
| "smiles": "C1NC=NC=1", |
| "formula": "C3H4N2" |
| }, |
| { |
| "name": "Indane-5-sulfonyl chloride", |
| "cas": "52205-85-3", |
| "smiles": "C1CC2=C(C1)C=C(C=C2)S(=O)(=O)Cl", |
| "formula": "C9H9ClO2S" |
| }, |
| { |
| "name": "Indium", |
| "cas": "7440-74-6", |
| "smiles": "[In]", |
| "formula": "In" |
| }, |
| { |
| "name": "Indole", |
| "cas": "120-72-9", |
| "smiles": "C1=CC=C2C(=C1)C=CN2", |
| "formula": "C8H7N" |
| }, |
| { |
| "name": "Iodomethane", |
| "cas": "74-88-4", |
| "smiles": "CI", |
| "formula": "CH3I" |
| }, |
| { |
| "name": "Iron", |
| "cas": "7439-89-6", |
| "smiles": "[Fe]", |
| "formula": "Fe" |
| }, |
| { |
| "name": "Lithium iodide, anhydrous", |
| "cas": "10377-51-2", |
| "smiles": "[Li+].[I-]", |
| "formula": "ILi" |
| }, |
| { |
| "name": "m-toluidine", |
| "cas": "108-44-1", |
| "smiles": "CC1=CC(=CC=C1)N", |
| "formula": "C7H9N" |
| }, |
| { |
| "name": "Maleimide", |
| "cas": "541-59-3", |
| "smiles": "C1=CC(=O)NC1=O", |
| "formula": "C4H3NO2" |
| }, |
| { |
| "name": "Malononitrile", |
| "cas": "109-77-3", |
| "smiles": "C(C#N)C#N", |
| "formula": "C3H2N2" |
| }, |
| { |
| "name": "Methanesulfonyl chloride", |
| "cas": "124-63-0", |
| "smiles": "CS(=O)(=O)Cl", |
| "formula": "CH3ClO2S" |
| }, |
| { |
| "name": "Methanol dry", |
| "cas": "67-56-1", |
| "smiles": "CO", |
| "formula": "CH4O" |
| }, |
| { |
| "name": "Methyl thioglycolate", |
| "cas": "2365-48-2", |
| "smiles": "COC(=O)CS", |
| "formula": "C3H6O2S" |
| }, |
| { |
| "name": "Methyllithium (3.1 M in Dimethoxyethane)", |
| "cas": "917-54-4", |
| "smiles": "[Li+].[CH3-]", |
| "formula": "CH3Li" |
| }, |
| { |
| "name": "Morpholine", |
| "cas": "110-91-8", |
| "smiles": "C1COCCN1", |
| "formula": "C4H9NO" |
| }, |
| { |
| "name": "N-Bromosuccinimide", |
| "cas": "128-08-5", |
| "smiles": "C1CC(=O)N(C1=O)Br", |
| "formula": "C4H4BrNO2" |
| }, |
| { |
| "name": "n-Butyllithium (2 M in Cyclohexane)", |
| "cas": "109-72-8", |
| "smiles": "[Li+].CCC[CH2-]", |
| "formula": "C4H9Li" |
| }, |
| { |
| "name": "N-Iodo succinamide", |
| "cas": "516-12-1", |
| "smiles": "C1CC(=O)N(C1=O)I", |
| "formula": "C4H4INO2" |
| }, |
| { |
| "name": "N-Methylaniline", |
| "cas": "100-61-8", |
| "smiles": "CNC1=CC=CC=C1", |
| "formula": "C7H9N" |
| }, |
| { |
| "name": "N-Methylbenzylamine", |
| "cas": "103-67-3", |
| "smiles": "CNCC1=CC=CC=C1", |
| "formula": "C8H11N" |
| }, |
| { |
| "name": "N-Phenyl-1,2-phenylenediamine", |
| "cas": "534-85-0", |
| "smiles": "C1=CC=C(C=C1)NC2=CC=CC=C2N", |
| "formula": "C12H12N2" |
| }, |
| { |
| "name": "N,N-Diisopropylethylamine", |
| "cas": "7087-68-5", |
| "smiles": "CCN(C(C)C)C(C)C", |
| "formula": "C8H19N" |
| }, |
| { |
| "name": "N,N'-Diisopropylethylenediamine", |
| "cas": "4013-94-9", |
| "smiles": "CC(C)NCCNC(C)C", |
| "formula": "C8H20N2" |
| }, |
| { |
| "name": "N,N'-Dimethyl-1,3-propanediamine", |
| "cas": "111-33-1", |
| "smiles": "CNCCCNC", |
| "formula": "C5H14N2" |
| }, |
| { |
| "name": "N1-Methylbenzene-1,2-diamine", |
| "cas": "4760-34-3", |
| "smiles": "CNC1=CC=CC=C1N", |
| "formula": "C7H10N2" |
| }, |
| { |
| "name": "o-Anisidine", |
| "cas": "90-04-0", |
| "smiles": "COC1=CC=CC=C1N", |
| "formula": "C7H9NO" |
| }, |
| { |
| "name": "o-Bromobenzyl alcohol", |
| "cas": "18982-54-2", |
| "smiles": "C1=CC=C(C(=C1)CO)Br", |
| "formula": "C7H7BrO" |
| }, |
| { |
| "name": "o-Toluidine", |
| "cas": "95-53-4", |
| "smiles": "CC1=CC=CC=C1N", |
| "formula": "C7H9N" |
| }, |
| { |
| "name": "O-Xylene", |
| "cas": "95-47-6", |
| "smiles": "CC1=CC=CC=C1C", |
| "formula": "C8H10" |
| }, |
| { |
| "name": "Oxalyl chloride", |
| "cas": "79-37-8", |
| "smiles": "C(=O)(C(=O)Cl)Cl", |
| "formula": "C2Cl2O2" |
| }, |
| { |
| "name": "p-Anisaldehyde", |
| "cas": "123-11-5", |
| "smiles": "COC1=CC=C(C=C1)C=O", |
| "formula": "C8H8O2" |
| }, |
| { |
| "name": "p-Anisidine", |
| "cas": "104-94-9", |
| "smiles": "COC1=CC=C(C=C1)N", |
| "formula": "C7H9NO" |
| }, |
| { |
| "name": "p-Toluidine", |
| "cas": "106-49-0", |
| "smiles": "CC1=CC=C(C=C1)N", |
| "formula": "C7H9N" |
| }, |
| { |
| "name": "Palladium acetate", |
| "cas": "3375-31-3", |
| "smiles": "CC(=O)[O-].CC(=O)[O-].[Pd+2]", |
| "formula": "C4H6O4Pd" |
| }, |
| { |
| "name": "Phenyl boronic acid", |
| "cas": "98-80-6", |
| "smiles": "B(C1=CC=CC=C1)(O)O", |
| "formula": "C6H7BO2" |
| }, |
| { |
| "name": "Phosphorus tribromide", |
| "cas": "7789-60-8", |
| "smiles": "P(Br)(Br)Br", |
| "formula": "Br3P" |
| }, |
| { |
| "name": "Piperazine", |
| "cas": "110-85-0", |
| "smiles": "C1CNCCN1", |
| "formula": "C4H10N2" |
| }, |
| { |
| "name": "Piperidine", |
| "cas": "110-89-4", |
| "smiles": "C1CCNCC1", |
| "formula": "C5H11N" |
| }, |
| { |
| "name": "Platinum(IV) oxide", |
| "cas": "1314-15-4", |
| "smiles": "O=[Pt]=O", |
| "formula": "O2Pt" |
| }, |
| { |
| "name": "Potassium polysulfide", |
| "cas": "37199-66-9", |
| "smiles": "", |
| "formula": "nan" |
| }, |
| { |
| "name": "Potassium tert-butoxide", |
| "cas": "864-47-4", |
| "smiles": "CC(C)(C)[O-].[K+]", |
| "formula": "C4H9KO" |
| }, |
| { |
| "name": "Potassium tert-butoxide", |
| "cas": "865-47-4", |
| "smiles": "CC(C)(C)[O-].[K+]", |
| "formula": "C4H9KO" |
| }, |
| { |
| "name": "Propargyl Bromide", |
| "cas": "106-96-7", |
| "smiles": "C#CCBr", |
| "formula": "C3H3Br" |
| }, |
| { |
| "name": "Pyridine", |
| "cas": "110-86-1", |
| "smiles": "C1=CC=NC=C1", |
| "formula": "C5H5N" |
| }, |
| { |
| "name": "Pyridinium chlorochromate", |
| "cas": "26299-14-9", |
| "smiles": "[H+]N1C=CC=CC=1.[Cl-][Cr](=O)(=O)=O", |
| "formula": "nan" |
| }, |
| { |
| "name": "Pyrrole", |
| "cas": "109-97-9", |
| "smiles": "", |
| "formula": "nan" |
| }, |
| { |
| "name": "Pyrrole", |
| "cas": "109-97-7", |
| "smiles": "C1=CNC=C1", |
| "formula": "C4H5N" |
| }, |
| { |
| "name": "sec-Butyllithium (1.4 M in Cyclohexane)", |
| "cas": "598-30-1", |
| "smiles": "[Li+].CC[CH-]C", |
| "formula": "C4H9Li" |
| }, |
| { |
| "name": "Sodium acetate", |
| "cas": "127-09-3", |
| "smiles": "CC(=O)[O-].[Na+]", |
| "formula": "C2H3NaO2" |
| }, |
| { |
| "name": "Sodium borohydride", |
| "cas": "16940-66-2", |
| "smiles": "[BH4-].[Na+]", |
| "formula": "BH4Na" |
| }, |
| { |
| "name": "Sodium hydride", |
| "cas": "7646-69-7", |
| "smiles": "[H-].[Na+]", |
| "formula": "HNa" |
| }, |
| { |
| "name": "Sodium iodide", |
| "cas": "7681-82-5", |
| "smiles": "[Na+].[I-]", |
| "formula": "INa" |
| }, |
| { |
| "name": "Sodium methoxide", |
| "cas": "124-41-4", |
| "smiles": "C[O-].[Na+]", |
| "formula": "CH3NaO" |
| }, |
| { |
| "name": "Sodium tert-butoxide", |
| "cas": "865-48-5", |
| "smiles": "CC(C)(C)[O-].[Na+]", |
| "formula": "C4H9NaO" |
| }, |
| { |
| "name": "Spermidine", |
| "cas": "124-20-9", |
| "smiles": "C(CCNCCCN)CN", |
| "formula": "C7H19N3" |
| }, |
| { |
| "name": "Spermine", |
| "cas": "71-44-3", |
| "smiles": "C(CCNCCCN)CNCCCN", |
| "formula": "C10H26N4" |
| }, |
| { |
| "name": "Squaric acid", |
| "cas": "2892-51-5", |
| "smiles": "C1(=C(C(=O)C1=O)O)O", |
| "formula": "C4H2O4" |
| }, |
| { |
| "name": "Stannous chloride", |
| "cas": "7772-99-8", |
| "smiles": "Cl[Sn]Cl", |
| "formula": "Cl2Sn" |
| }, |
| { |
| "name": "tert-Butyl 1-piperazinecarboxylate", |
| "cas": "57260-71-6", |
| "smiles": "CC(C)(C)OC(=O)N1CCNCC1", |
| "formula": "C9H18N2O2" |
| }, |
| { |
| "name": "tert-Butyllithium (1.7 M in Pentane)", |
| "cas": "594-19-4", |
| "smiles": "[Li+].C[C-](C)C", |
| "formula": "C4H9Li" |
| }, |
| { |
| "name": "Tetrabutylammonium bromide", |
| "cas": "1643-19-2", |
| "smiles": "CCCC[N+](CCCC)(CCCC)CCCC.[Br-]", |
| "formula": "C16H36BrN" |
| }, |
| { |
| "name": "Tetrahydrofuran Dry", |
| "cas": "109-99-9", |
| "smiles": "O1CCCC1", |
| "formula": "C4H8O" |
| }, |
| { |
| "name": "Tetrakis(triphenylphosphine)palladium(0)", |
| "cas": "14221-01-3", |
| "smiles": "C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Pd]", |
| "formula": "C72H60P4Pd" |
| }, |
| { |
| "name": "Thiazolidine", |
| "cas": "504-78-9", |
| "smiles": "C1CSCN1", |
| "formula": "C3H7NS" |
| }, |
| { |
| "name": "Thiomorpholine", |
| "cas": "123-90-0", |
| "smiles": "C1CSCCN1", |
| "formula": "C4H9NS" |
| }, |
| { |
| "name": "Thionyl chloride", |
| "cas": "7719-09-7", |
| "smiles": "O=S(Cl)Cl", |
| "formula": "Cl2OS" |
| }, |
| { |
| "name": "Thiophene-2-sulfonyl chloride", |
| "cas": "16629-19-9", |
| "smiles": "C1=CSC(=C1)S(=O)(=O)Cl", |
| "formula": "C4H3ClO2S2" |
| }, |
| { |
| "name": "Toluene", |
| "cas": "108-88-3", |
| "smiles": "CC1C=CC=CC=1", |
| "formula": "C7H8" |
| }, |
| { |
| "name": "trans-2,5-Dimethylpiperazine", |
| "cas": "2815-34-1", |
| "smiles": "C[C@@H]1CN[C@H](CN1)C", |
| "formula": "C6H14N2" |
| }, |
| { |
| "name": "Triethyl orthoformate", |
| "cas": "122-51-0", |
| "smiles": "CCOC(OCC)OCC", |
| "formula": "C7H16O3" |
| }, |
| { |
| "name": "Triethylamine", |
| "cas": "121-44-8", |
| "smiles": "CCN(CC)CC", |
| "formula": "C6H15N" |
| }, |
| { |
| "name": "Trifluoroacetic acid", |
| "cas": "76-05-1", |
| "smiles": "C(=O)(C(F)(F)F)O", |
| "formula": "C2HF3O2" |
| }, |
| { |
| "name": "Trifluoroacetic anhydride", |
| "cas": "407-25-0", |
| "smiles": "C(OC(C(F)(F)F)=O)(C(F)(F)F)=O", |
| "formula": "C4F6O3" |
| }, |
| { |
| "name": "Trimethylsilyl iodide", |
| "cas": "16029-98-4", |
| "smiles": "C[Si](C)(C)I", |
| "formula": "C3H9ISi" |
| }, |
| { |
| "name": "Triphenylchloromethane", |
| "cas": "76-83-5", |
| "smiles": "C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)Cl", |
| "formula": "C19H15Cl" |
| }, |
| { |
| "name": "Triphenylphosphine", |
| "cas": "603-35-0", |
| "smiles": "C1C=C(P(C2C=CC=CC=2)C2=CC=CC=C2)C=CC=1", |
| "formula": "C18H15P" |
| }, |
| { |
| "name": "Vanillin", |
| "cas": "121-33-5", |
| "smiles": "COC1=C(C=CC(=C1)C=O)O", |
| "formula": "C8H8O3" |
| }, |
| { |
| "name": "Xanthene", |
| "cas": "92-83-1", |
| "smiles": "C1C2=CC=CC=C2OC3=CC=CC=C31", |
| "formula": "C13H10O" |
| }, |
| { |
| "name": "Zinc", |
| "cas": "7440-88-8", |
| "smiles": "", |
| "formula": "nan" |
| }, |
| { |
| "name": "Zinc dichloride", |
| "cas": "7646-85-7", |
| "smiles": "Cl[Zn]Cl", |
| "formula": "Cl2Zn" |
| }, |
| { |
| "name": "Zinc trifluoromethanesulfonate", |
| "cas": "54010-75-2", |
| "smiles": "C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Zn+2]", |
| "formula": "C2F6O6S2Zn" |
| } |
| ] |
