blc-org/A-secret-data-repo huggingface dataset:
Task: forward reaction prediction
molecule: CC(=O)O[BH-](OC(C)=O)OC(C)=O.CC(C)c1ccc(CCC=O)cc1.CNC1CCC(c2ccc3[nH]c(=O)oc3c2)CC1.CO.ClCCl.O=C([O-])O.[Na+].[Na+].[Na+].[OH-]
Answer: CC(C)c1ccc(CCCN(C)C2CCC(c3ccc4[nH]c(=O)oc4c3)CC2)cc1
Task: forward reaction prediction
molecule: CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C.CN(C)C=O.F[B-](F)(F)F.NC1CCCCC1O.O=C(O)c1cnc(OCC(F)(F)F)c(Br)c1
Answer: O=C(NC1CCCCC1O)c1cnc(OCC(F)(F)F)c(Br)c1
Task: forward reaction prediction
molecule: CSc1ccc(O)cc1.O=S1(=O)CCCC1.O=[N+]([O-])c1ccc(Cl)c([N+](=O)[O-])c1.[Na+].[OH-]
Answer: CSc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
Task: forward reaction prediction
molecule: CS(C)=O.O=C([O-])[O-].O=[N+]([O-])c1ccc(F)cc1OCC(F)(F)F.OC1CCNCC1.[K+].[K+]
Answer: O=[N+]([O-])c1ccc(N2CCC(O)CC2)cc1OCC(F)(F)F
Task: forward reaction prediction
molecule: C1COCCO1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCn1ccc2c(Br)cccc21.O.[Na+].[OH-]
Answer: CC(C)(C)OC(=O)NCCn1ccc2c(Br)cccc21
Task: forward reaction prediction
molecule: B.COc1c(N)c(C#N)c(C)c(-c2ccccc2)c1F.ClCCl.ClCCl.O.[F-].[F-].[F-]
Answer: Cc1c(C#N)c(N)c(O)c(F)c1-c1ccccc1
Task: forward reaction prediction
molecule: CN(C)C=O.COc1cc2ncnc(C3CCNCC3)c2cc1OC.O=C=NC1CCCCC1
Answer: COc1cc2ncnc(C3CCN(C(=O)NC4CCCCC4)CC3)c2cc1OC