rxn_id source rxn_type rxn_name rxn_tech temperature_deg_c time_h atmosphere scale_mol concentration_mol_l mixing startingmat_1_cas startingmat_1_smiles startingmat_1_eq startingmat_2_cas startingmat_2_smiles startingmat_2_eq reagent_1_cas reagent_1_smiles reagent_1_eq solvent_1_cas solvent_1_smiles solvent_1_fraction solvent_2_cas solvent_2_smiles solvent_2_fraction product_1_cas product_1_smiles product_1_yield product_1_yieldtype product_1_nmr lsf_lit_minisci_1 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 491-35-0 N=1C=CC(=C2C=CC=CC12)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 56947-80-9 N=1C=2C=CC=CC2C(=CC1C3CCCCC3)C 82 isolated "1HNMR(CDCl3,300MHz) ? 8.04(1H,ddd,J=8.4,1.3,0.6Hz,Ar?H),7.94(1H,dm,J=8.2Hz,Ar?H),7.66(1H,ddd,J=8.4,6.9,1.5Hz,Ar?H),7.49(1H,ddd,J=8.2,6.9,1.3Hz,Ar?H),7.17(1H,q,J=0.9Hz,Ar?H),2.87(1H,tt,J=11.9,3.4Hz,alkylCH),2.68(3H,d,J=0.9Hz,CH3),2.07?1.74(5H,m,alkylCHs),1.66?1.23(5H,m,alkylCHs);13CNMR(75MHz,CDCl3) ? 166.7,147.7,144.4,129.6,129.1,127.2,125.5,123.7,120.4,47.7,33.0,26.7,26.3,19.0" lsf_lit_minisci_2 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 37597-46-9 N=1C=2C=CC=CC2C(=CC1C)C3CCCCC3 80 isolated "1HNMR (CDCl3, 300 MHz) ? 8.10 ? 7.94 (2H, m, Ar?H), 7.65 (1H, ddd, J=8.4, 6.8, 1.4 Hz, Ar?H), 7.48 (1H,ddd, J=8.3, 6.8, 1.3 Hz, Ar?H), 7.17 (1H, s, Ar?H), 3.39 ? 3.20 (1H, m, alkyl CH), 2.72 (3H, s, CH3), 2.08 ? 1.80 (5H, m, alkyl CHs), 1.66 ? 1.44 (4H, m, alkyl CHs), 1.41 ? 1.28 (1H, m, alkyl CH); 13C NMR (75 MHz, CDCl3) ? 159.0, 153.4, 148.3, 129.7, 128.9, 125.4, 125.3, 123.0, 118.5, 38.9, 33.7, 27.1, 26.5,25.7" lsf_lit_minisci_3 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.0035 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 37597-46-9 N=1C=2C=CC=CC2C(=CC1C)C3CCCCC3 78 isolated "1HNMR (CDCl3, 300 MHz) ? 8.10 ? 7.94 (2H, m, Ar?H), 7.65 (1H, ddd, J=8.4, 6.8, 1.4 Hz, Ar?H), 7.48 (1H,ddd, J=8.3, 6.8, 1.3 Hz, Ar?H), 7.17 (1H, s, Ar?H), 3.39 ? 3.20 (1H, m, alkyl CH), 2.72 (3H, s, CH3), 2.08 ? 1.80 (5H, m, alkyl CHs), 1.66 ? 1.44 (4H, m, alkyl CHs), 1.41 ? 1.28 (1H, m, alkyl CH); 13C NMR (75 MHz, CDCl3) ? 159.0, 153.4, 148.3, 129.7, 128.9, 125.4, 125.3, 123.0, 118.5, 38.9, 33.7, 27.1, 26.5,25.7" lsf_lit_minisci_4 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 1128-61-6 FC=1C=CC=2N=C(C=CC2C1)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-76-0 FC=1C=CC=2N=C(C=C(C2C1)C3CCCCC3)C 62 isolated lsf_lit_minisci_5 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 1078-28-0 N=1C=2C=CC(OC)=CC2C=CC1C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 CC1=NC2=CC=C(OC)C=C2C(C3CCCCC3)=C1 68 isolated lsf_lit_minisci_6 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 1125-80-0 N1=CC2=CC=CC=C2C=C1C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2130838-00-3 N=1C(=CC=2C=CC=CC2C1C3CCCCC3)C 91 isolated lsf_lit_minisci_7 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 229-87-8 N1=CC2=CC=CC=C2C3=CC=CC=C13 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 16573-53-8 N=1C=2C=CC=CC2C=3C=CC=CC3C1C4CCCCC4 80 isolated lsf_lit_minisci_8 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 253-82-7 N=1C=NC=2C=CC=CC2C1 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 1466541-55-8 N=1C=NC(=C2C=CC=CC12)C3CCCCC3 77 isolated lsf_lit_minisci_9 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 253-52-1 N=1N=CC=2C=CC=CC2C1 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 1466541-54-7 N=1N=C(C=2C=CC=CC2C1C3CCCCC3)C4CCCCC4 74 isolated lsf_lit_minisci_10 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 7251-61-8 N1=CC(=NC2=CC=CC=C12)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 4 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 1466541-52-5 N=1C=2C=CC=CC2N=C(C1C)C3CCCCC3 69 isolated lsf_lit_minisci_11 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 108-48-5 N=1C(=CC=CC1C)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 1926949-71-4 N=1C(=CC(=CC1C)C2CCCCC2)C 50 isolated lsf_lit_minisci_12 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 24 ar 0.00015 0.05 st_ 491-36-1 O=C1N=CNC=2C=CC=CC12 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 26059-80-3 O=C1N=C(NC=2C=CC=CC12)C3CCCCC3 60 isolated lsf_lit_minisci_13 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 40 ar 0.00015 0.05 st_ 95-16-9 N1=CSC=2C=CC=CC12 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 40115-03-5 N=1C=2C=CC=CC2SC1C3CCCCC3 25 isolated lsf_lit_minisci_14 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 3400-45-1 O=C(O)C1CCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 40114-99-6 N=1C=2C=CC=CC2C(=CC1C)C3CCCC3 71 isolated lsf_lit_minisci_15 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 99-66-1 O=C(O)C(CCC)CCC 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-80-6 N=1C=2C=CC=CC2C(=CC1C)C(CCC)CCC 71 isolated lsf_lit_minisci_16 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 97-69-8 O=C(O)C(NC(=O)C)C 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-81-7 O=C(NC(C1=CC(=NC=2C=CC=CC21)C)C)C 91 isolated lsf_lit_minisci_17 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 122665-97-8 O=C(O)C1CCC(F)(F)CC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-82-8 FC1(F)CCC(C2=CC(=NC=3C=CC=CC32)C)CC1 74 isolated lsf_lit_minisci_18 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 01.03.5337 O=C(O)C1CCOCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-83-9 N=1C=2C=CC=CC2C(=CC1C)C3CCOCC3 53 isolated lsf_lit_minisci_19 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 16874-33-2 O=C(O)C1OCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 104293-35-8 N=1C=2C=CC=CC2C(=CC1C)C3OCCC3 67 isolated lsf_lit_minisci_20 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 4771-80-6 O=C(O)C1CC=CCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-84-0 N=1C=2C=CC=CC2C(=CC1C)C3CC=CCC3 26 isolated lsf_lit_minisci_21 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 75-98-9 O=C(O)C(C)(C)C 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 152536-61-3 N=1C=2C=CC=CC2C(=CC1C)C(C)(C)C 61 isolated lsf_lit_minisci_22 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 103-82-2 O=C(O)CC=1C=CC=CC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 4 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 99749-18-5 N=1C=2C=CC=CC2C(=CC1C)CC=3C=CC=CC3 28 isolated lsf_lit_minisci_23 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 79-09-4 O=C(O)CC 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 4 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 73348-49-9 N=1C=2C=CC=CC2C(=CC1C)CC 37 isolated lsf_lit_minisci_24 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 72 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 93-40-3 O=C(O)CC1=CC=C(OC)C(OC)=C1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 768304-01-4 N=1C=2C=CC=CC2C(=CC1C)CC3=CC=C(OC)C(OC)=C3 34 isolated lsf_lit_minisci_25 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 53293-00-8 O=C(O)CCCC#C 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 6 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-79-3 C#CCCCC1=CC(=NC=2C=CC=CC21)C 53 isolated lsf_lit_minisci_26 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 91-63-4 N=1C=2C=CC=CC2C=CC1C 1 30379-55-6 O=C(O)COCC=1C=CC=CC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-85-1 N=1C=2C=CC=CC2C(=CC1C)COCC=3C=CC=CC3 68 isolated lsf_lit_minisci_27 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 106-51-4 O=C1C=CC(=O)C=C1 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 3116-98-1 O=C1C=CC(=O)C(=C1)C2CCCCC2 27 isolated lsf_lit_minisci_28 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 130-15-4 O=C1C=CC(=O)C=2C=CC=CC12 1 75-98-9 O=C(O)C(C)(C)C 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 51595-06-3 O=C1C=C(C(=O)C=2C=CC=CC12)C(C)(C)C 67 isolated lsf_lit_minisci_29 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 130-15-4 O=C1C=CC(=O)C=2C=CC=CC12 1 98-89-5 O=C(O)C1CCCCC1 20 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-87-3 O=C1C=2C=CC=CC2C(=O)C(=C1C3CCCCC3)C4CCCCC4 64 isolated lsf_lit_minisci_30 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 130-15-4 O=C1C=CC(=O)C=2C=CC=CC12 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-95-3 O=C1C=2C=CC=CC2C(=O)C(=C1C(CCC)CCC)C3CCCCC3 46 isolated lsf_lit_minisci_31 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 130-15-4 O=C1C=CC(=O)C=2C=CC=CC12 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 34987-31-0 O=C1C=C(C(=O)C=2C=CC=CC12)C3CCCCC3 70 isolated lsf_lit_minisci_32 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 58-27-5 O=C1C=C(C(=O)C=2C=CC=CC12)C 1 103-82-2 O=C(O)CC=1C=CC=CC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 52711-59-8 O=C1C=2C=CC=CC2C(=O)C(=C1C)CC=3C=CC=CC3 85 isolated lsf_lit_minisci_33 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 58-27-5 O=C1C=C(C(=O)C=2C=CC=CC12)C 1 111-16-0 O=C(O)CCCCCC(=O)O 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 2 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 84978-05-2 O=C(O)CCCCCC=1C(=O)C=2C=CC=CC2C(=O)C1C 61 isolated lsf_lit_minisci_34 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 58-27-5 O=C1C=C(C(=O)C=2C=CC=CC12)C 1 5239-82-7 O=C(O)CC1CC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-94-2 O=C1C=2C=CC=CC2C(=O)C(=C1C)CCC=C 29 isolated lsf_lit_minisci_35 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 58-27-5 O=C1C=C(C(=O)C=2C=CC=CC12)C 1 53293-00-8 O=C(O)CCCC#C 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-93-1 O=C1C=2C=CC=CC2C(=O)C(=C1C)CCCC#C 59 isolated lsf_lit_minisci_36 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 58-27-5 O=C1C=C(C(=O)C=2C=CC=CC12)C 1 79-09-4 O=C(O)CC 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2589-56-2 O=C1C=2C=CC=CC2C(=O)C(=C1C)CC 63 isolated lsf_lit_minisci_37 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 58-27-5 O=C1C=C(C(=O)C=2C=CC=CC12)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 54812-04-3 O=C1C=2C=CC=CC2C(=O)C(=C1C)C3CCCCC3 72 isolated lsf_lit_minisci_38 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ O=C1C=CC(C2=CC3=CC=CC=C3C=C21)=O 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 O=C1C=C(C2CCCCC2)C(C3=CC4=CC=CC=C4C=C31)=O 78 isolated lsf_lit_minisci_39 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 2348-82-5 O=C1C=C(OC)C(=O)C=2C=CC=CC12 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-88-4 O=C1C(OC)=C(C(=O)C=2C=CC=CC12)C3CCCCC3 55 isolated lsf_lit_minisci_40 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 484-11-7 N=1C(=CC=C2C=CC=3C=CC(=NC3C12)C)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-78-2 N=1C=2C=3N=C(C=C(C3C=CC2C(=CC1C)C4CCCCC4)C5CCCCC5)C 82 isolated lsf_lit_minisci_41 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.000075 0.05 st_ 105628-07-7 Cl.O=S(=O)(C1=CC=CC=2C=NC=CC21)N3CCNCCC3 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 4 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2125962-85-6 O=S(=O)(C1=CC=CC2=C1C=CN=C2C3CCCCC3)N4CCNCCC4 44 isolated lsf_lit_minisci_42 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 40 ar 0.00015 0.05 st_ 58-08-2 O=C1C2=C(N=CN2C)N(C(=O)N1C)C 1 98-89-5 O=C(O)C1CCCCC1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 3 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 110166-60-4 O=C1C2=C(N=C(N2C)C3CCCCC3)N(C(=O)N1C)C 28 isolated lsf_lit_minisci_43 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 1125-80-0 N1=CC2=CC=CC=C2C=C1C 1 93-40-3 O=C(O)CC1=CC=C(OC)C(OC)=C1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 4 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 2248050-86-2 N=1C(=CC=2C=CC=CC2C1CC3=CC=C(OC)C(OC)=C3)C 86 isolated lsf_lit_minisci_44 10.1021/acs.orglett.8b02988 alkylation minisci standard 40 16 ar 0.00015 0.05 st_ 83-72-7 O=C1C=C(O)C(=O)C=2C=CC=CC12 1 93-40-3 O=C(O)CC1=CC=C(OC)C(OC)=C1 10 7727-54-0 O=S(=O)(O)OOS(=O)(=O)O.N 2 67-68-5 O=S(C)C 99.998333 7732-18-5 O 0.001667 4042-30-2 O=C1C(O)=C(C(=O)C=2C=CC=CC12)C3CCCCC3 33 isolated