Mol-LLaMA SFT
Collection
RCR_RP: Reagents Prediction; RCR_CP: Catalyst Prediction; RCR_SP: Solvent Prediction; HTE_RAS: Reagent Selection
•
17 items
•
Updated
Dataset Viewer
instruction
stringlengths 48
868
| input
stringclasses 1
value | output
stringlengths 7
2.47k
|
|---|---|---|
Convert the following SMILES notation CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 into its IUPAC nomenclature. | 4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine |
|
What is the IUPAC name of the molecule NOCC(=O)O ? | 2-aminooxyacetic acid |
|
CN1CCCC1c1ccc[n+](C)c1 is the SMILES representation of a molecule. What is its IUPAC name? | 1-methyl-3-(1-methylpyrrolidin-2-yl)pyridin-1-ium |
|
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO is the SMILES representation of a molecule. What is its IUPAC name? | 3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-ol |
|
Turn the given SMILES symbol of a molecule CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(n3ccc(=O)[nH]c3=O)C(O)C2O)OC(CO)C1O into its respective IUPAC name. | [3-amino-2-[[[5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl] 3-hydroxytetradecanoate |
|
Determine the IUPAC name for the molecule denoted by CCN(CC)CCCCNc1ncc2cc(-c3cc(OC)cc(OC)c3)c(NC(=O)NC(C)(C)C)nc2n1 . | 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea |
|
Provide the IUPAC name for the molecule represented as Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O . | 6-amino-2-(fluoromethyl)-3-(2-methylphenyl)quinazolin-4-one |
|
CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 2-(3,7-dimethylnona-1,3,5,7-tetraenyl)-1,3,3-trimethylcyclohexene |
|
Can you give the IUPAC name of the molecule COC(=O)C1CSC2(c3ccccc3)c3ccccc3C(=O)N12 ? | methyl 5-oxo-9b-phenyl-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxylate |
|
Translate the given SMILES formula of a molecule CCC(C)C1NC(=O)C(c2cn(OC)c3ccccc23)NC(=O)C(CCCCCC(=O)OC)NC(=O)C2CCCCN2C1=O into its IUPAC name. | methyl 6-[3-butan-2-yl-6-(1-methoxyindol-3-yl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate |
|
Please write the IUPAC name of the molecule O=C(NNCS(=O)(=O)O)c1ccncc1 . | [2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonic acid |
|
Turn the given SMILES symbol of a molecule C#CCOS(=O)OC1CCCCC1Oc1ccc(C(C)(C)C)cc1 into its respective IUPAC name. | [2-(4-tert-butylphenoxy)cyclohexyl] prop-2-ynyl sulfite |
|
Translate the given SMILES formula of a molecule COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C into its IUPAC name. | 1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
|
Provide the IUPAC name for the molecule represented as O=S(=O)(c1ccccc1)c1ccc(Cl)cc1 . | 1-(benzenesulfonyl)-4-chlorobenzene |
|
Convert the SMILES representation of a molecule c1ccc(-c2cnc(-c3ccccc3)o2)cc1 into IUPAC name. | 2,5-diphenyl-1,3-oxazole |
|
Translate the given SMILES formula of a molecule Cc1nc2ccccc2s1 into its IUPAC name. | 2-methyl-1,3-benzothiazole |
|
Please write the IUPAC name of the molecule COP(=S)(OC)OC . | trimethoxy(sulfanylidene)-lambda5-phosphane |
|
Convert the following SMILES notation CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1 into its IUPAC nomenclature. | 1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine |
|
Determine the IUPAC name for the molecule denoted by O=C=NCC(F)(F)C(F)(F)C(F)(F)F . | 1,1,1,2,2,3,3-heptafluoro-4-isocyanatobutane |
|
CC(C)CS The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 2-methylpropane-1-thiol |
|
Determine the IUPAC name for the molecule represented by the following SMILES representation: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC . | dotriacontane |
|
Turn the given SMILES symbol of a molecule c1ccc2c(c1)Cc1ccccc1C2 into its respective IUPAC name. | 9,10-dihydroanthracene |
|
Translate the given SMILES formula of a molecule CCOC(=O)N(CC)N=O into its IUPAC name. | ethyl N-ethyl-N-nitrosocarbamate |
|
Oc1ccc(Br)cc1Br is the SMILES representation of a molecule. What is its IUPAC name? | 2,4-dibromophenol |
|
Turn the given SMILES symbol of a molecule O=c1cc[nH]cc1 into its respective IUPAC name. | 1H-pyridin-4-one |
|
Provide the IUPAC name for the molecule represented as Cc1cc(Oc2c(I)cc(CCO)cc2I)cc(C)c1O . | 4-[4-(2-hydroxyethyl)-2,6-diiodophenoxy]-2,6-dimethylphenol |
|
Convert the following SMILES notation CCC12COP(OC1)OC2 into its IUPAC nomenclature. | 4-ethyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane |
|
CCCCCCCC(Cl)CC is the SMILES representation of a molecule. What is its IUPAC name? | 3-chlorodecane |
|
CN(C(=S)Oc1ccc2ccccc2c1)c1cccc2ccccc12 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | O-naphthalen-2-yl N-methyl-N-naphthalen-1-ylcarbamothioate |
|
Convert the following SMILES notation Cc1cc(C(=O)NNCc2ccccc2)on1 into its IUPAC nomenclature. | N'-benzyl-3-methyl-1,2-oxazole-5-carbohydrazide |
|
Turn the given SMILES symbol of a molecule C[Si](Cl)(Cl)CCCC#N into its respective IUPAC name. | 4-[dichloro(methyl)silyl]butanenitrile |
|
Provide the IUPAC name for the molecule represented as c1ccc(C(c2ccccc2)(c2ccccc2)N2CCOCC2)cc1 . | 4-tritylmorpholine |
|
Determine the IUPAC name for the molecule denoted by C=C(CC)CCCC . | 3-methylideneheptane |
|
Convert the following SMILES notation C=CC(=O)OC(C)(C)C into its IUPAC nomenclature. | tert-butyl prop-2-enoate |
|
Please write the IUPAC name of the molecule NC(=O)Cn1c(=O)n(CC(N)=O)c(=O)n(CC(N)=O)c1=O . | 2-[3,5-bis(2-amino-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetamide |
|
N#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl is the SMILES representation of a molecule. What is its IUPAC name? | 2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile |
|
Convert the following SMILES notation CC(CCl)OC(=O)Nc1cccc(Cl)c1 into its IUPAC nomenclature. | 1-chloropropan-2-yl N-(3-chlorophenyl)carbamate |
|
Determine the IUPAC name for the molecule represented by the following SMILES representation: NC(=O)N[Hg]c1ccccc1 . | (carbamoylamino)-phenylmercury |
|
Determine the IUPAC name for the molecule denoted by Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 . | 2-(4-chlorophenyl)-4,6-diphenyl-1,3,5-triazine |
|
Can you give the IUPAC name of the molecule NC(CCN1CCCCCC1)=NO ? | 3-(azepan-1-yl)-N'-hydroxypropanimidamide |
|
Provide the IUPAC name for the molecule represented as CCOc1ccc(Oc2nc3ccccc3n2CCN(CC)CC)cc1 . | 2-[2-(4-ethoxyphenoxy)benzimidazol-1-yl]-N,N-diethylethanamine |
|
CC(=O)Oc1ccccc1Cl is the SMILES representation of a molecule. What is its IUPAC name? | (2-chlorophenyl) acetate |
|
Provide the IUPAC name for the molecule represented as CC(Cc1c[nH]c2ccc(SCc3ccccc3)cc12)N(C)C . | 1-(5-benzylsulfanyl-1H-indol-3-yl)-N,N-dimethylpropan-2-amine |
|
Provide the IUPAC name for the molecule represented as CCN(CC)CCN(c1ccccc1)C(C)C . | N,N-diethyl-N'-phenyl-N'-propan-2-ylethane-1,2-diamine |
|
What is the IUPAC name for the molecule whose SMILES representation is CCOC(=O)N(CCCl)N=O ? | ethyl N-(2-chloroethyl)-N-nitrosocarbamate |
|
Convert the following SMILES notation Cl[Fe]Cl into its IUPAC nomenclature. | dichloroiron |
|
What is the IUPAC name for the molecule whose SMILES representation is COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1 ? | [3-(methoxycarbonylamino)phenyl] N-(3-methylphenyl)carbamate |
|
Oc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCCN2CCCCC2)cc1 is the SMILES representation of a molecule. What is its IUPAC name? | 6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-7,8-dihydronaphthalen-2-ol |
|
What is the IUPAC name for the molecule whose SMILES representation is CC(=O)c1ccc(NC2OC(CO)C(O)C(O)C2O)cc1 ? | 1-[4-[[(2R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]ethanone |
|
What is the IUPAC name for the molecule whose SMILES representation is N#CC(C#N)=CC#Cc1ccccc1 ? | 2-(3-phenylprop-2-ynylidene)propanedinitrile |
|
Provide the IUPAC name for the molecule represented as C=CCc1ccc(OC(=O)NC)c(OC)c1 . | (2-methoxy-4-prop-2-enylphenyl) N-methylcarbamate |
|
Please write the IUPAC name of the molecule COc1cc(N)ccc1OCCCCCc1ccccc1 . | 3-methoxy-4-(5-phenylpentoxy)aniline |
|
Can you give the IUPAC name of the molecule CC(C)C(=O)OCC(C)(C)C(OC(=O)c1ccccc1C(=O)OCc1ccccc1)C(C)C ? | 1-O-benzyl 2-O-[2,2,4-trimethyl-1-(2-methylpropanoyloxy)pentan-3-yl] benzene-1,2-dicarboxylate |
|
Turn the given SMILES symbol of a molecule CCOCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O into its respective IUPAC name. | 2-(ethoxymethyl)-1,3-dihydroxyanthracene-9,10-dione |
|
Can you give the IUPAC name of the molecule COc1ccc2c(c1)OC(C)(C)C=C2 ? | 7-methoxy-2,2-dimethylchromene |
|
What is the IUPAC name of the molecule CCCCCCCCCCCCCCCCCCCC(=O)OCC ? | ethyl icosanoate |
|
CCCC1COC(C(C)C)OC1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 2-propan-2-yl-5-propyl-1,3-dioxane |
|
What is the IUPAC name of the molecule CS(=O)(=O)OCCO ? | 2-hydroxyethyl methanesulfonate |
|
Convert the following SMILES notation CCOC(=O)C(C)(CCOC)C(=O)OCC into its IUPAC nomenclature. | diethyl 2-(2-methoxyethyl)-2-methylpropanedioate |
|
Can you give the IUPAC name of the molecule CCSCC(N)C(=O)O ? | 2-amino-3-ethylsulfanylpropanoic acid |
|
Please write the IUPAC name of the molecule CCCCCCCCC=O . | nonanal |
|
COc1ccccc1N1CCN(C(=O)CC(c2ccccc2)c2ccc(Cl)cc2)CC1 is the SMILES representation of a molecule. What is its IUPAC name? | 3-(4-chlorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-phenylpropan-1-one |
|
What is the IUPAC name for the molecule whose SMILES representation is CNc1cccc2c(OC)c(OC)ccc12 ? | 5,6-dimethoxy-N-methylnaphthalen-1-amine |
|
Please write the IUPAC name of the molecule CCCC[As](Sc1ccccc1)c1ccccc1 . | butyl-phenyl-phenylsulfanylarsane |
|
What is the IUPAC name for the molecule whose SMILES representation is CCCN(CCC)c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 ? | N,N-dipropyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine |
|
Can you give the IUPAC name of the molecule CCCCC(=O)C=C(C)OC ? | 2-methoxyoct-2-en-4-one |
|
What is the IUPAC name for the molecule whose SMILES representation is CCN(CC)C(=O)CC(O)C(Cl)(Cl)Cl ? | 4,4,4-trichloro-N,N-diethyl-3-hydroxybutanamide |
|
Convert the following SMILES notation [N-]=[N+]=Cc1nc(N)nc(N)n1 into its IUPAC nomenclature. | 6-(diazomethyl)-1,3,5-triazine-2,4-diamine |
|
What is the IUPAC name of the molecule CSC(SC)c1nc(C)nc(C(Cl)Cl)n1 ? | 2-[bis(methylsulfanyl)methyl]-4-(dichloromethyl)-6-methyl-1,3,5-triazine |
|
Turn the given SMILES symbol of a molecule O=C(C=Cc1ccccc1)NCCCl into its respective IUPAC name. | N-(2-chloroethyl)-3-phenylprop-2-enamide |
|
Determine the IUPAC name for the molecule represented by the following SMILES representation: CCCCOc1nc(C)nc(C(Cl)(Cl)Cl)n1 . | 2-butoxy-4-methyl-6-(trichloromethyl)-1,3,5-triazine |
|
C=C(C)CNCCc1c(C)[nH]c2ccc(OC)c(C)c12 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | N-[2-(5-methoxy-2,4-dimethyl-1H-indol-3-yl)ethyl]-2-methylprop-2-en-1-amine |
|
Determine the IUPAC name for the molecule denoted by COc1cc(C=CC(=O)N2CCCO2)cc(OC)c1OC . | 1-(1,2-oxazolidin-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one |
|
What is the IUPAC name of the molecule Cc1cc(N(C)C)c2ncnc-2c2nc(N)n(C)c12 ? | 9-N,9-N,5,7-tetramethyl-3,5,11,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2(6),3,7,9,11-hexaene-4,9-diamine |
|
O=C(c1ccccc1)N(O)CN1CCOCC1 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | N-hydroxy-N-(morpholin-4-ylmethyl)benzamide |
|
Determine the IUPAC name for the molecule denoted by Cc1cccc2c1C(=O)N(C)C(C)C2c1ccccc1 . | (3S,4R)-2,3,8-trimethyl-4-phenyl-3,4-dihydroisoquinolin-1-one |
|
CCC1(C)COC(=O)C1 is the SMILES representation of a molecule. What is its IUPAC name? | 4-ethyl-4-methyloxolan-2-one |
|
Convert the following SMILES notation CCOC(=O)C(CN1CCCCC1)(C(=O)OCC)c1ccccc1 into its IUPAC nomenclature. | diethyl 2-phenyl-2-(piperidin-1-ylmethyl)propanedioate |
|
What is the IUPAC name of the molecule CC(C=O)=CC(C)(C)C ? | 2,4,4-trimethylpent-2-enal |
|
What is the IUPAC name of the molecule CN(SN1CCOCC1)C(=O)Oc1cccc2c1OC(C)(C)C2 ? | (2,2-dimethyl-3H-1-benzofuran-7-yl) N-methyl-N-morpholin-4-ylsulfanylcarbamate |
|
CCOC(=O)c1c(C)cc2c(CO)n[nH]c(=O)c2c1C is the SMILES representation of a molecule. What is its IUPAC name? | ethyl 1-(hydroxymethyl)-5,7-dimethyl-4-oxo-3H-phthalazine-6-carboxylate |
|
What is the IUPAC name of the molecule CC1(C)C(=O)CCC2CC(=O)CCC21C ? | 4a,5,5-trimethyl-1,3,4,7,8,8a-hexahydronaphthalene-2,6-dione |
|
C#CCOC(C)n1ccc2ccccc21 The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 1-(1-prop-2-ynoxyethyl)indole |
|
Convert the SMILES representation of a molecule Cc1cccc(OC(=O)N(C)N=O)c1 into IUPAC name. | (3-methylphenyl) N-methyl-N-nitrosocarbamate |
|
Please write the IUPAC name of the molecule COc1ccc(C(=O)c2ccccc2)c(OC)c1CN1CCCCC1 . | [2,4-dimethoxy-3-(piperidin-1-ylmethyl)phenyl]-phenylmethanone |
|
Convert the following SMILES notation CC(C)NCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl into its IUPAC nomenclature. | N-[2-[4-chloro-2-(2-chlorobenzoyl)-N-methylanilino]-2-oxoethyl]-2-(propan-2-ylamino)acetamide |
|
Determine the IUPAC name for the molecule denoted by CN1CCN(c2c(N)c(=O)oc3ccccc23)CC1 . | 3-amino-4-(4-methylpiperazin-1-yl)chromen-2-one |
|
What is the IUPAC name for the molecule whose SMILES representation is O=C(O)C(Cl)(Cl)c1ccccc1 ? | 2,2-dichloro-2-phenylacetic acid |
|
Please write the IUPAC name of the molecule Oc1cccc(F)c1C=NCCN=Cc1c(O)cccc1F . | 3-fluoro-2-[2-[(2-fluoro-6-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol |
|
Convert the following SMILES notation O=C(NN=C1SCCS1)c1ccccc1 into its IUPAC nomenclature. | N-(1,3-dithiolan-2-ylideneamino)benzamide |
|
What is the IUPAC name for the molecule whose SMILES representation is CCCCCCOc1ccc(NC(=O)OC(C)CN(CC)CC)c(C)c1 ? | 1-(diethylamino)propan-2-yl N-(4-hexoxy-2-methylphenyl)carbamate |
|
Convert the following SMILES notation CN(C)C(=O)Oc1ccc([N+](C)(C)CCO)cc1 into its IUPAC nomenclature. | [4-(dimethylcarbamoyloxy)phenyl]-(2-hydroxyethyl)-dimethylazanium |
|
Determine the IUPAC name for the molecule denoted by CC(=O)N(C(C)=O)C(C)(C)C . | N-acetyl-N-tert-butylacetamide |
|
CN(C)CC12CC3CC(CC(C3)C1Br)C2 is the SMILES representation of a molecule. What is its IUPAC name? | 1-(2-bromo-1-adamantyl)-N,N-dimethylmethanamine |
|
OC1C=Cc2cc3c4ccccc4c4ccccc4c3cc2C1O The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | (11S)-10,11-dihydrobenzo[b]triphenylene-10,11-diol |
|
Can you give the IUPAC name of the molecule CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(OC(F)F)cc1 ? | [cyano-(3-phenoxyphenyl)methyl] 2-[4-(difluoromethoxy)phenyl]-3-methylbutanoate |
|
Can you give the IUPAC name of the molecule COc1cccc(C[N+](C)(C)C)c1 ? | (3-methoxyphenyl)methyl-trimethylazanium |
|
What is the IUPAC name of the molecule C=Cc1cc(Cl)c(Cl)c(Cl)c1Cl ? | 1,2,3,4-tetrachloro-5-ethenylbenzene |
|
COc1cc(C=NO)cc(I)c1O The above is a SMILES representation. Write the IUPAC name of the corresponding molecule. | 4-(hydroxyiminomethyl)-2-iodo-6-methoxyphenol |
|
Convert the following SMILES notation CC(Cc1cccc(C(F)(F)F)c1)NCCOC(=O)CCc1ccccc1 into its IUPAC nomenclature. | 2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl 3-phenylpropanoate |
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 16
Size of downloaded dataset files:
20.5 MB
Size of the auto-converted Parquet files:
20.5 MB
Number of rows:
278,214