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{"sheet":"Feuil1","index":0,"n_rows":419,"n_cols":11,"rows_kept":419,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["Preparation of 1"]
["compound","MM","volume mL","density","mass g","mol"]
["PEG6000",6185,null,null,40,0.0064672594987873885]
["THF",null,30,0.8892,26.676]
["NaOH ",40,null,null,5.34,0.1335,"j1=",10.321218750000002]
["H2O",null,11,1,11,null,"b1=",0.11467117848597247]
["BrPr 80%w in toluene",118.96,4.3,1.335,4.5924000000000005,0.038604572965702764,"j2=",2.984616047410895]
["S",6502.92,{"$nulls":4},"b2=",0.07261043500458259]
["purification by extraction/precipitation",{"$nulls":5},"RME=",0.7810559876953641]
["CH2Cl2",null,200,1.3,260]
["aq. KH2PO4",null,80,1.1527,92.21600000000001]
["H2O",null,40,1,40]
["Na2SO4",null,null,null,10]
["Et2O precipitation",null,450,0.7134,321.03000000000003]
["Et2O washing",null,200,0.7134,142.68]
["product:1 (C286H566O141)",6261,null,null,39,null,"AE=",0.9627982506320237]
[{"$nulls":6},"yield =",0.9631648298993771]
["Mass of reactants",null,null,null,49.9324,null,"RME=",0.7810559876953641]
["Mass of auxiliaries",null,null,null,904.7501000000001,null,"GME=",0.04085127778083289]
[{"$nulls":6},"E=",23.479038461538465]
["purification by ultrafiltration"]
["H2O UF1",null,160,1,160]
["H2O UF2",null,120,1,120]
["H2O UF3",null,120,1,120,null,"RME=",0.7710424493915774]
["product:1",6261,null,null,38.5,null,"yield =",0.9508165628493851]
["Mass of auxiliaries",null,null,null,438.8241,null,"GME=",0.0787713309183612]
[{"$nulls":6},"E=",11.694974025974025]
["Mass of auxiliaries (without H2O)",null,null,null,38.8241,null,"GME*=",0.43377104775424896]
[{"$nulls":6},"E*=",1.3053636363636363]
[]
["Pentaerythritol triallyl ether 6"]
["compound","MM","volume mL","density","mass g","mol"]
["pentaerythritol",136.16,null,null,103.4,0.759400705052879]
["NaOH",40,null,null,122,3.05,"j1=",1.3387749838813667]
["H2O",null,250,1,250,null,"b1=",0.06566467140326929]
["AllBr",120.98,null,1.398,368.4,3.045131426682096,"j2=",1.336637959564907]
["Et2O",null,200,0.7134,142.68,null,"b2=",0.19734999361086633]
["Na2HPO4 sat",null,200,1.043,208.6,null,"RME=",0.18356348939036715]
["brine",null,200,1.198,239.6]
["Na2SO4",null,null,null,25]
["S",619.0999999999999,{"$nulls":4},"AE=",0.41405265708286226]
["purification by flash chromatography"]
["silica",null,null,null,5000]
["petroleum ether",null,27000,0.7,18900]
["Ethyl acetate",null,7000,0.897,6279]
["product: 6 (C14H24O4)",256.34,null,null,109,0.4252165093235547,"yield =",0.5599369430318685,"without removal of  diallyl"]
["Mass of reactants",null,null,null,593.8,null,"RME=",0.18356348939036715]
["Mass of auxiliaries",null,null,null,31044.88,null,"GME=",0.003445150050507796]
[{"$nulls":6},"E=",289.26311926605507]
[]
["retrieval of compound 7 to afford 6"]
["compound 7 (C11H20O4)",216.27,null,null,41,0.1895778425116752]
["NaOH",40,null,null,15.2,0.38,"j1=",0.16679819471308832]
["H2O",null,30,1,30,null,"b1=",0.0979951242631798]
["AllBr",120.98,null,null,46,0.38022813688212925,"j2=",0.16689833371331628]
["Flash : ",{"$nulls":5},"b2=",0.29519215358164813]
["silice",null,null,null,1600,null,"RME=",0.2221374045801527]
["petroleum ether",null,8900,0.7,6230]
["Ethyl acetate",null,2300,0.897,2063.1]
["product: 6",256.34,null,null,36.5,0.14238901458999767,"yield =",0.7474387634049253,"with removal of  diallyl"]
["Mass of suppl reactants",null,null,null,61.2,null,"RME=",0.22213740458015266]
["Mass of suppl auxiliaries",null,null,null,9923.1,null,"GME=",0.0034956651349807243]
[{"$nulls":6},"E=",285.06859106529214]
["compound 9"]
["Method in DMF: "]
["compound","MM","volume mL","density","mass g","mol"]
["Pentaerythritol triallyl ether 6",256.34,null,null,0.43,0.0016774596239369588]
["DMF",null,3.5,0.948,3.3179999999999996]
["NaH 60% huile",24,null,null,0.135]
["dibromobutane",215.91,1,1.808,1.808,0.008373859478486408]
["Et2O",null,10,0.7134,7.134]
["H2O",null,3,1,3]
["KH2PO4 sat",null,5,1.1527,5.7635000000000005]
["brine",null,15,1.198,17.97]
["Na2SO4",null,null,null,1.5]
["Mass of reactants",null,null,null,2.373]
[{"$nulls":6},"AE=",0.7885944584382871]
["Flash chromatography :"]
["silica",null,null,null,15]
["petroleum ether",null,95,0.7,66.5]
["Ethyl acetate",null,5,0.897,4.485]
["Mass of auxiliaries",null,null,null,124.67049999999999]
["product: 9 (C18H31BrO4)",391.34,null,null,0.155,0.000396075024275566,"yield = ",0.23611598075069437]
[{"$nulls":6},"RME=",0.0653181626632954]
[{"$nulls":6},"GME=",0.0012200545482452861]
[{"$nulls":6},"E=",818.6354838709677]
["Method in water:"]
["Pentaerythritol triallyl ether 6",256.34,null,null,78,0.3042833736443786]
["H2O",null,null,null,250]
["NaOH",40,null,null,120,3,"j1=",9.859230769230768]
["dibromobutane",215.91,145,1.808,262.16,1.2142096243805292,"b1=",0.6917896159477418]
["TBAB",null,null,null,9.7,null,"j2=",1.2505741589859978]
["Et2O",null,200,0.7134,142.68,null,"b2=",0.10561535708475701]
["H2O",null,100,1,100,null,"RME=",0.3098229583095374]
["KH2PO4 sat",null,100,1.1527,115.27000000000001]
["Na2SO4",null,null,null,25]
["S",512.25,{"$nulls":4},"AE=",0.7639629087359687]
["recovery of dibromobutane by distillation"]
["dibromobutane",215.91,null,null,180,0.8336807002917883]
["Flash chromatography :"]
["silica",null,null,null,4000]
["petroleum ether",null,24480,0.7,17136]
["Et2O",null,2720,0.7134,1940.448]
["product: 9",391.34,null,null,86.8,0.22180201359431698]
[{"$nulls":6},"yield = ",0.7289324123688103]
["Mass of reactants",null,null,null,280.16,null,"RME=",0.3098229583095374]
["Mass of auxiliaries",null,null,null,23719.098,null,"GME=",0.0036167784854015065]
[{"$nulls":6},"E=",275.48914746543784]
["compound 12 method in DMF"]
["compound","MM","volume mL","density","mass g","mol"]
[9,391.34,null,null,7.83,0.02000817703275924]
["DMF",null,20,1.128,22.56]
["NaN3",65.01,null,null,1.43,0.021996615905245345,"j=",1.0993813114123516]
["Et2O",null,65,0.7134,46.371,null,"b=",0.01415750861162919]
["brine",null,250,1.198,299.5,null,"RME=",0.7505399568034556]
["H2O",null,45,1,45]
["Na2SO4",null,null,null,8]
["S",456.34999999999997]
["product 12 (C18H31N3O4)",353.46,null,null,6.95,0.01966276240592995]
[{"$nulls":6},"AE=",0.7745370877615865]
[{"$nulls":6},"yield=",0.9827363269395436]
["Mass of reactants",null,null,null,9.26,null,"RME=",0.7505399568034558]
["Mass of auxiliaries",null,null,null,421.431,null,"GME=",0.016136859140311734]
[{"$nulls":6},"E=",60.96992805755394]
["compound 12 method in PEG400"]
["compound","MM","volume mL","density","mass g","mol"]
[9,391.34,null,null,80,0.2044258189809373]
["PEG400",null,200,1.128,225.59999999999997]
["NaN3",65.01,null,null,14.6,0.22458083371788953,"j=",1.098593293339486]
["Et2O",null,200,0.7134,142.68,null,"b=",0.014045250356086302]
["H2O",null,150,1,150,null,"RME=",0.7515856236786468]
["Na2SO4",null,null,null,25]
["product 12",353.46,null,null,71.1,0.20115430317433372]
[{"$nulls":6},"yield=",0.9839965625530469]
["Mass of reactants",null,null,null,94.6,null,"RME=",0.7515856236786469]
["Mass of auxiliaries",null,null,null,543.28,null,"GME=",0.11146297109174139,0.13540793783804372,0.14585213752359072]
[{"$nulls":6},"E=",7.971589310829819,6.385091420534459,5.856258790436005]
["compound 12: Method in water under microwave activation",{"$nulls":7},"1 recycle","2 recycles"]
["compound","MM","volume mL","density","mass g","mol"]
[9,391.34,null,null,0.177,0.00045229212449532374]
["TBAB",null,null,null,0.014]
["NaN3",65,null,null,0.044,0.0006769230769230769]
["H2O",null,1,1,1]
["Et2O",null,4,0.7134,2.8536]
["Na2SO4",null,null,null,0.5]
["product 12",353.46,null,null,0.153,0.00043286369037514856]
[{"$nulls":6},"yield=",0.9570445005164443]
["Mass of reactants",null,null,null,0.22099999999999997,null,"RME=",0.6923076923076924]
["Mass of auxiliaries",null,null,null,4.3676,null,"GME=",0.03334350346510918]
[{"$nulls":6},"E=",28.99084967320262]
["PEG6000 with 6 allyl functions (13)"]
["Method with CuSO4/AscNa"]
["compound","MM","volume mL","density","mass g","mol"]
["PEG 1",6261,null,null,3,0.0004791566842357451]
["Azido 12",353.46,null,null,0.508,0.0014372206190233691,"j=",1.4997397159508856]
["THF",null,6,0.8892,5.3352,null,"b=",0.05070035247247386]
["H2O",null,4.5,1,4.5]
["CuSO4.5H2O ",249.68,null,null,0.12,0.00048061518743992306,null,0.5015219480935597]
["sodium ascorbate ",198.1,null,null,0.2,0.0010095911155981827,null,1.0535083291267036]
["S",6967.92,{"$nulls":4},"RME=",0.9036488027366021,"(ultrafiltration method)"]
["purification by precipitation",{"$nulls":5},"AE=",1.0000114811880734]
["CH2Cl2",null,30,1.3,39]
["NH4Cl aq",null,20,1.067,21.34]
["NH3 aq",null,6,0.9,5.4]
["H2O",null,20,null,20]
["Na2SO4",null,null,null,4]
["Et2O precipitation",null,40,0.7134,28.536]
["Et2O washing",null,20,0.7134,14.268]
["product 13 (C322H628N6O149)",6968,null,null,3.2,0.0004592422502870264]
[{"$nulls":6},"yield =",0.9584385763490241]
["Mass of reactants",null,null,null,3.508,null,"RME=",0.9122006841505131]
["Mass of auxiliaries",null,null,null,142.6992,null,"GME=",0.022424792850976042]
[{"$nulls":6},"E=",43.59349999999999]
["purification by ultrafiltration"]
["H2O UF1",null,30,1,30]
["H2O UF2",null,30,1,30]
["product 13 (C322H628N6O149)",6968,null,null,3.17,0.00045493685419058553]
[{"$nulls":6},"yield =",0.949453214695752]
[{"$nulls":6},"RME=",0.9036488027366021]
["Mass of auxiliaries",null,null,null,70.15520000000001,null,"GME",0.043033699323407074]
[{"$nulls":6},"E=",22.237602523659305]
["Mass of auxiliaries (without H20)",null,null,null,5.655200000000001,null,"GME*=",0.34594901344508466]
[{"$nulls":6},"E*=",1.890599369085174]
[]
["Method with copper turnings/purification by ultrafiltration"]
["compound","MM","volume mL","density","mass g","mol"]
["PEG 1",6261,null,null,0.715,0.00011419900974285257]
["Azido 12",353.46,null,null,0.092,0.0002602840491144684,"j=",1.1396072947592215]
["copper",63.54,null,null,0.038,0.000598048473402581,null,2.6184485957857064]
["H2O reaction",null,1.4,1,1.4,null,"b=",0.014163651249036853]
["H2O UF1",null,20,1,20,null,"RME=",0.9355638166047089]
["H2O UF2",null,20,1,20]
["product 13 (C322H628N6O149)",6968,null,null,0.755,0.0001083524684270953]
[{"$nulls":6},"yield =",0.9488039228280332]
["recuperation of 12 (cf experimental)"]
["CH2Cl2",null,3,1.3,3.9000000000000004,null,"recovered 12","3,5 mg"]
["concentration of the filtrates",{"$nulls":5},"recovered 12","2 mg"]
[{"$nulls":6},"total (gram): ",0.0055]
["Mass of reactants (without removal of 12)",null,null,null,0.8069999999999999,null,"RME=",0.9355638166047089,null,"without H2O"]
["Mass of auxiliaries (without removal of 12)",null,null,null,41.41266666666667,null,"GME=",0.01788266131897457,null,0.9355638166047089]
[{"$nulls":6},"E=",54.92008830022075,null,0.06887417218543046]
["Mass of reactants (after removal of 12)",null,null,null,0.8015,null,"RME=",0.941983780411728]
["Mass of auxiliaries (after removal of 12)",null,null,null,45.312666666666665,null,"GME=",0.016372409057231148,null,0.16058704668722748]
[{"$nulls":6},"E=",60.07836644591611,null,5.227152317880795]
["PEG6000 with 6 alcohol functions (15)"]
["compound","MM","volume mL","density","mass g","mol",null,"Equiv"]
["compound 13",6968,null,null,0.34,4.879448909299656e-05]
["EtOH",null,0.5,0.789,0.3945]
["mercaptoethanol",78.133,0.096,1.1,0.10560000000000001,0.0013515416021399411,"j=",4.616442099858387]
["EtOH",null,2,0.789,1.578,null,"b=",0.2279718803078169]
["Et2O",null,6,0.7134,4.2804,null,"RME=",0.763016157989228]
["S",7436.798]
["product 15 ( C334H664N6O155S6)",7437,null,null,0.34,4.571735915019497e-05,"AE=",1.0000271622276147]
[{"$nulls":6},"yield =",0.9369369369369369]
["Mass of reactants",null,null,null,0.44560000000000005,null,"RME=",0.763016157989228]
["Mass of auxiliaries",null,null,null,6.2529,null,"GME=",0.0507576323057401]
[{"$nulls":6},"E=",18.701470588235292]
[]
["2,2-Bis(prop-2-ynyloxy)propan-1-ol (16)"]
[]
["compound","MM","volume mL","density","mass g","mol",null,null,null,"Ref 35"]
["pentaerythritol ",136.16,null,null,100,0.7344300822561692,null,null,"j1(pentaeryt)=",5.011363636363635]
["DMSO",null,250,1.1,275,null,null,null,"j2(NaOH)=",5.681818181818182]
["NaOH",40,null,null,117,2.925,"j2(NaOH)=",1.3275599999999999,"b1 ( pentaeryth)=",0.8909488332364488]
["H2O",null,250,1,250,null,"j1(AllylBr)=",1.2835392064559517,"b2 (NaOH)=",0.9164462054974909]
["BrPr 80%w in toluene",118.96,315,1.335,336.42,2.8280094149293884,"b1=",0.16506177737178657,"RME(ref 35)=",0.10325462324696934]
["Et2O",null,900,0.7134,642.0600000000001,null,"b2=",0.06411849145243374]
["Na2HPO4 sat",null,200,1.043,208.6,null,"RME=",0.14943442593328754]
["brine",null,200,1.198,239.6]
["Na2SO4",null,null,null,100]
[{"$nulls":6},"AE=",0.4082767845491322]
["purification by flash chromatography"]
["silica",null,null,null,5000]
["petroleum ether",null,20000,0.7,14000]
["Ethyl acetate",null,14000,0.897,12558]
[null,"MM",null,null,"mass g","mol"]
["product: 16 (C14H18O4)",250.29,null,null,82.7,0.3304167166087339,"yield =",0.44989540133445205]
[{"$nulls":6},"RME=",0.14943442593328754]
["Mass of reactants",null,null,null,553.4200000000001,null,"GME=",0.002438752155103457]
["Mass of auxiliaries",null,null,null,33357.365000000005,null,"E=",409.04576783555024]
[]
["Compound 17:  "]
["compound","MM","volume mL","density","mass g","mol"]
["compound 16",250.29,null,null,0.116,0.00046346238363498347]
["Azido 12",353.46,null,null,0.732,0.002070955695128162,"j=",1.4894813245219183]
["THF",null,5,0.8892,4.446,null,"b=",0.39600830635976386]
["H2O",null,4,null,4,null,"RME=",0.4257075471698113]
["CuSO4.5H2O ",249.68,null,null,0.295,0.001181512335789811]
["sodium ascorbate ",198.1,null,null,0.554,0.0027965673902069664]
["Et2O",null,30,0.7134,21.402]
["NH4Cl aq",null,30,1.067,32.01]
["NH3 aq",null,9,0.9,8.1]
["H2O",null,10,1,10]
["brine",null,10,1.198,11.98]
["Na2SO4",null,null,null,4]
["S",1310.6699999999998,{"$nulls":4},"AE=",0.9999923703144196]
["purification by flash chromatography"]
["silica",null,null,null,25]
["CH2Cl2",null,123.5,1.3,160.55]
["MeOH",null,6.5,0.7918,5.1467]
[]
["product: 17 C68H111N9O16",1310.66,null,null,0.361,0.00027543375093464357,"yield =",0.5942958062192408]
["Mass of reactants",null,null,null,0.848,null,"RME=",0.4257075471698113]
["Mass of auxiliaries",null,null,null,287.4837,null,"GME=",0.0012520302138127719]
[{"$nulls":6},"E=",797.7027700831026]
["Compound 20: "]
["compound","MM","volume mL","density","mass g","mol"]
["product: 16",250.29,null,null,82,0.32761996084541933]
["H2O",null,250,null,250,null,"j1=",9.996338414634145]
["NaOH",40,null,null,131,3.275,"b1=",0.7108920122192135]
["dibromobutane",215.91,155,1.808,280.24,1.297948219165393,"j2=",1.2757217946502102]
["TBAB",null,null,null,10,null,"b2=",0.11760389704252645]
["Et2O",null,200,0.7134,142.68,null,"RME=",0.3551642263553621]
["KH2PO4 sat",null,100,1.1527,115.27000000000001]
["H2O",null,100,1,100]
["Na2SO4",null,null,null,25]
["S",506.19999999999993,{"$nulls":4},"AE=",0.7611418411694983]
["distillation: recovery of  dibromobutane"]
["dibromobutane",215.91,null,null,190,0.8799962947524431]
["Flash :"]
["silice",null,null,null,4000]
["petroleum ether",null,24480,0.7,17136]
["Et2O",null,2720,0.7134,1940.448]
["product: 20 (C18H25BrO4)",385.29,null,null,107.7,0.2795297048976096]
[{"$nulls":6},"yield = ",0.85321329071735]
["Mass of reactants",null,null,null,303.24,null,"RME=",0.3551642263553621]
["Mass of auxiliaries",null,null,null,23719.398,null,"GME=",0.004483271154483533]
[{"$nulls":6},"E=",222.0514206128134]
[]
["Compound 18:  "]
["Method with CuSO4/AscNa"]
["compound","MM","volume mL","density","mass g","mol"]
["compound 20",385.29,null,null,23.4,0.060733473487502916,"j=",1.0000087052279245]
["Azido 12",353.46,null,null,64.4,0.1821988343801279,"b=",2.3200573208509473e-06]
["PEG400",null,130,1.128,146.64,null,"RME=",0.9943075460251037]
["H2O",null,18.4,null,18.4]
["CuSO4.5H2O ",249.68,null,null,1.51,0.006047741108619032]
["sodium ascorbate ",198.1,null,null,2.41,0.012165572942958103]
["Et2O",null,400,0.7134,285.36]
["NH4Cl aq",null,100,1.067,106.69999999999999]
["NH3 aq",null,30,0.9,27]
["H2O",null,100,1,100]
["brine",null,100,1.198,119.8]
["Na2SO4",null,null,null,50]
["S",1445.6699999999998,{"$nulls":4},"AE=",0.999993082792062]
["product: 18 (C72H118BrN9O16)",1445.66,null,null,87.3,0.06038764301426337,"yield =",0.9943144239047297]
["Mass of reactants",null,null,null,87.80000000000001,null,"RME=",0.9943052391799543]
["Mass of auxiliaries",null,null,null,857.8199999999999,null,"GME=",0.09232038239461941]
[{"$nulls":6},"E=",9.831844215349369]
[]
["Method with copper turnings"]
["compound","MM","volume mL","density","mass g","mol"]
["compound 20",385.29,null,null,0.77,0.001998494640400737]
["Azido 12",353.46,null,null,2.13,0.006026141571889323]
["PEG400",null,7.5,1.128,8.459999999999999]
["H2O",null,1.2,null,1.2]
["copper",63.54,null,null,0.5,0.007869058860560278]
["Et2O",null,25,0.7134,17.835]
["H2O",null,5,null,5]
["brine",null,1,1.198,1.198]
["Na2SO4",null,null,null,1]
["product: 18 (C72H118BrN9O16)",1445.66,null,null,2.82,0.0019506661317322189,"yield =",0.9760677323313073]
[{"$nulls":6},"RME=",0.9724137931034482]
["Mass of reactants",null,null,null,2.9,null,"GME=",0.07402934922426693]
["Mass of auxiliaries",null,null,null,35.193,null,"E=",12.508156028368793]
[]
[]
["Compound 19 :"]
["compound","MM","volume mL","density","mass g","mol"]
["18",1445.66,null,null,20,0.01383451157256893]
["PEG400",null,16,1.128,18.048]
["NaN3",65.01,null,null,0.99,0.015228426395939085,"j=",1.100756345177665]
["Et2O",null,40,0.7134,28.536,null,"b=",0.004335937034560824]
["H2O",null,20,1,20,null,"RME=",0.9099571224392567]
["Na2SO4",null,null,null,5]
["product 19 (C72H118N12O16)",1407.78,null,null,19.1,0.013567460824844793,"AE=",0.9318911476364791]
["S",1510.67]
["Mass of reactants",null,null,null,20.99,null,"yield=",0.9806967708022561]
["Mass of auxiliaries",null,null,null,71.584,null,"RME=",0.909957122439257]
["Mass of auxiliaries (1 recycleof PEG)",null,null,null,62.56,null,"GME=",0.2063214293430121,0.22860562537402757,0.23714335377815302,0.2416559123459602]
["Mass of auxiliaries (2 recycles of PEG)",null,null,null,59.552,null,"E=",3.846806282722513,3.3743455497382193,3.2168586387434557,3.1381151832460725]
["Mass of auxiliaries (3 recycles of PEG)",null,null,null,58.048,null,null,null,"1 recycle","2 recycles","3 recycles"]
[]
["Compound 22: "]
["Method with CuSO4/AscNa"]
["compound","MM","volume mL","density","mass g","mol"]
["PEG 1",6261,null,null,20,0.0031943778949049674]
["Azido 19",1407.78,null,null,20,0.014206765261617583,"j=",2.223713932574692]
["THF",null,35,0.8892,31.122,null,"b=",0.37959755678362733]
["H2O",null,35,1,35,null,"RME=",0.6599999999999999]
["CuSO4.5H2O ",249.68,null,null,0.8,0.0032041012495994873]
["sodium ascorbate ",198.1,null,null,1.27,0.0064109035840484606]
["S",9076.56]
["purification by precipitation"]
["CH2Cl2",null,180,1.3,234]
["NH4Cl aq",null,100,1.067,106.69999999999999]
["NH3 aq",null,30,0.9,27]
["H2O",null,100,1,100]
["Na2SO4",null,null,null,20]
["Et2O precipitation",null,250,0.7134,178.35000000000002]
["Et2O lavage",null,100,0.7134,71.34]
["product 22",9077,null,null,26.4,0.002908449928390437,"AE=",1.000048476515332]
[{"$nulls":6},"yield =",0.9104902500826263]
["Mass of reactants",null,null,null,40,null,"RME=",0.6599999999999999]
["Mass of auxiliaries",null,null,null,805.5820000000001,null,"GME=",0.031221099786892335]
[{"$nulls":6},"E=",31.02962121212122]
[]
["Method with copper turnings/purification by ultrafiltration"]
["compound","MM","volume mL","density","mass g","mol"]
["PEG 1",6261,null,null,0.324,5.174892189746047e-05]
["Azido 19",1407.78,null,null,0.176,0.00012501953430223473,"j=",1.2079433707813143]
["copper",63.54,null,null,0.233,0.003666981429021089,"b=",0.06450428764168775]
["H2O reaction",null,0.5,1,0.5,null,"RME=",0.8600000000000001]
["THF",null,1,0.8892,1]
["H2O UF1",null,20,1,20]
["H2O UF2",null,20,1,20]
["product 22 (C430H802N24O173)",9077,null,null,0.43,4.7372479894238185e-05]
[{"$nulls":6},"yield =",0.9154293105488435]
["Mass of reactants",null,null,null,0.5,null,"RME=",0.86]
["Mass of auxiliaries",null,null,null,137.00300000000001,null,"GME=",0.003127204497356421,0.24812463935372187]
["Mass of auxiliaries (without H2O)",null,null,null,1.233,null,"E=",318.7744186046512,3.0302325581395353]
[{"$nulls":8},"(without H2O)"]
["Compound 23: "]
["compound","MM","volume mL","density","mass g","mol"]
[22,9077,null,null,0.5,5.5084278946788584e-05]
["EtOH",null,1,0.789,0.789]
["mercaptoethanol",78.133,0.35,1.1,0.385,0.004927495424468535,"j=",4.969652885322321]
["EtOH",null,1,0.789,0.789,null,"b=",0.532546616105433]
["Et2O",null,6,0.7134,4.2804,null,"RME=",0.6440677966101696]
["product 23 (C466H910N24O191S18)",10483,null,null,0.57,5.4373747972908514e-05]
[{"$nulls":6},"AE=",0.9999624167516741]
[{"$nulls":4},0.885,null,"yield =",0.9871010207001812]
["Mass of reactants",null,null,null,5.8584000000000005,null,"RME=",0.6440677966101694]
["Mass of auxiliaries",{"$nulls":5},"GME=",0.08452709315775424]
[{"$nulls":6},"E=",10.830526315789475]
["Total Synthesis of 15"]
[null,null,null,"x1=",0.0064672594987873885]
["S M=",8851.758,null,"x2=",0.026142419629346766]
["GAE=",0.8401720878496678,null,"s2=",2.021135817593872,2.021135817593872]
["P e (from PEG)=",0.8452468685677642,null,"a2=",0.03141474335913422]
[null,null,null,"b11=",0.08424287017335992,"b21=",0.05539151550955392]
["P e (from 3)=",0.4182038936769803,null,"b11*=",0.0533430590849863,"b21*=",0.16719404259487566]
[{"$nulls":5},"b22=",0.12557140371893302]
[null,null,null,"b12=",0.16760410807942192,"b22*=",0.04337887266621189]
[{"$nulls":5},"b23=",0.003080922774824042]
[{"$nulls":6},"GRME=",0.4102033221867452]
["Total Synthesis of 23"]
[null,null,null,"x1=",0.0064672594987873885]
["S M=",14703.594]
["GAE=",0.7129549414925358,null,"x2=",0.08525108316353695,"s2=",2.1969914556936505,2.1969914556936505]
["P e (green branch)=",0.8591780099879524,null,"x3=",0.039688960650845394,"s3=",3.0684527703184847,3.0684527703184847]
["P e (red branch)=",0.28000366122590686]
["P e (blue branch)=",0.3910702555357396,null,"a2=",0.06650715054043825,"b21=",0.11300411414320574,"b31=",0.05016822678478213]
[null,null,null,"a3=",0.03830907317035071,"b21*=",0.3411181813353856,"b31*=",0.14264329392619596]
[null,null,null,"b11=",0.050715321709780624,"b22=",0.2479394838762479,"b32=",0.06964160272759796]
[null,null,null,"b11*=",0.03211322687500758,"b22*=",0.09282640911639316,"b32*=",0.02235258784578086]
[{"$nulls":5},"b23=",0.008356581322954132]
[null,null,null,"b12=",0.3180937540038607,"b24=",0.00255678032202267]
[{"$nulls":6},"GRME=",0.23592974816550585]