{"text_format":"2","workbook":"xls","n_sheets":5,"sheets":["general","Laccase-TEMPO","Laccase-4-OH-TEMPO","NaOCl-KBr-TEMPO","Dess-Martin-CH2Cl2"],"not_rendered":{"charts":2,"images":0,"macros":0,"external_links":1,"defined_names":0,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"run_cost":"one","rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900","formulas":"cached_only"}

{"sheet":"general","index":0,"n_rows":11,"n_cols":11,"rows_kept":11,"cut":false,"hidden":false,"merged":[[5,3,5,5]],"flags":["formulas_cached_only"]}
["Environmental assessment of 2,2-dichloro-1-phenylethanol oxidation"]
[]
["General remarks:"]
["The E-factor was calculated for non-volatiles, gases and volatile compounds constituting final products. Solvents were treated separately"]
[]
[null,null,null,"E-factor",null,null,null,"Waste classification"]
["method","conversion [%]","by-products [%]","overall","reaction","isolation","solvent demand [mL/g product]","inorg. salts","organics","by-products","others"]
["Laccase/TEMPO",96,"<3",3.5,0.8,2.7,330,2.8,0.3,0.1,0.3]
["Laccase/4-OH-TEMPO",5,"<3",92.7,39.8,52.9,">7500",60.7,3.6,20.9,7.5]
["NaOCl/KBr/TEMPO",39,22,21.9,8.3,13.6,1250,13.9,0.4,2.6,4.9]
["Dess-Martin/CH2Cl2",54,"<3",53.1,6.8,46.3,1200,47.3,0.8,5,0]

{"sheet":"Laccase-TEMPO","index":1,"n_rows":24,"n_cols":9,"rows_kept":24,"cut":false,"hidden":false,"merged":[[0,0,0,8]],"flags":["formulas_cached_only"]}
["Laccase/TEMPO"]
[]
[]
["2,2-Dichloroacetophenone"]
["conversion:",0.96]
[]
[]
["Material","(Non)volatile [mg]","(Non)volatile [E]","Solvent [mL]",null,null,null,"E factor:"]
["Starting Materials",{"$nulls":6},"reaction",0.8400000000000001]
["substrate 1a",28.5,{"$nulls":5},"work-up",2.678]
["O2",9.6,0.266,{"$nulls":4},"purification","na"]
["laccase from T. versicolor",3,0.111,{"$nulls":4},"total",3.518]
["TEMPO",4.6,0.17]
["water",null,null,1]
["MTBE",null,null,2]
["acetate buffer",4.1,0.152]
[]
["By-Products"]
["water",null,0.095]
["remaining 1a + other",null,0.046]
[]
["Auxiliaries (work-up)"]
["EtOAc",null,null,6]
["Na2SO4",72.5,2.678]

{"sheet":"Laccase-4-OH-TEMPO","index":2,"n_rows":24,"n_cols":9,"rows_kept":24,"cut":false,"hidden":false,"merged":[[0,0,0,8]],"flags":["formulas_cached_only"]}
["Laccase/4-OH-TEMPO"]
[]
[]
["2,2-Dichloroacetophenone"]
["conversion:",0.05]
[]
[]
["Material","(Non)volatile [mg]","(Non)volatile [E]","Solvent [mL]",null,null,null,"E factor:"]
["Starting Materials",{"$nulls":6},"reaction",39.843]
["substrate 1a",19.1,{"$nulls":5},"work-up",52.899]
["O2",6.4,5.078,{"$nulls":4},"purification","na"]
["laccase from T. versicolor",2.3,2.433,{"$nulls":4},"total",92.742]
["4-OH-TEMPO",3.4,3.597]
["water",null,null,1.8]
["MeCN",null,null,0.2]
["acetate buffer",7.4,7.829]
[]
["By-Products"]
["water",null,0.095]
["remaining 1a + other",null,20.811]
[]
["Auxiliaries (work-up)"]
["EtOAc",null,null,4]
["Na2SO4",50,52.899]

{"sheet":"NaOCl-KBr-TEMPO","index":3,"n_rows":27,"n_cols":9,"rows_kept":27,"cut":false,"hidden":false,"merged":[[0,0,0,8]],"flags":["formulas_cached_only"]}
["NaOCl/KBr/TEMPO"]
[]
[]
["2,2-Dichloroacetophenone"]
["conversion:",0.39]
[]
[]
["Material","(Non)volatile [mg]","(Non)volatile [E]","Solvent [mL]",null,null,null,"E factor:"]
["Starting Materials",{"$nulls":6},"reaction",8.293000000000001]
["substrate 1a",40,{"$nulls":5},"work-up",13.564]
["NaOCl",14.9,{"$nulls":5},"purification","na"]
["TEMPO",6.2,0.421,{"$nulls":4},"total",21.857]
["KBr",4.8,0.326]
["water",null,null,3.9]
["MeCN",null,null,0.4]
["HCl 1M",72.9,4.946,0.2]
[]
["By-Products"]
["water",null,0.095]
["NaCl",null,0.309]
["benzoic acid",null,0.182]
["benzaldehyde",null,0.158]
["remaining 1a + other",null,1.856]
[]
["Auxiliaries (work-up)"]
["EtOAc",null,null,15]
["Na2SO4",200,13.564]

{"sheet":"Dess-Martin-CH2Cl2","index":4,"n_rows":24,"n_cols":9,"rows_kept":24,"cut":false,"hidden":false,"merged":[[0,0,0,8]],"flags":["formulas_cached_only"]}
["Dess-Martin/CH2Cl2"]
[]
[]
["2,2-Dichloroacetophenone"]
["conversion:",0.54]
[]
[]
["Material","Non-volatile [mg]","Non-volatile [E]","Solvent [mL]",null,null,null,"E factor:"]
["Starting Materials",{"$nulls":6},"reaction",6.7669999999999995]
["substrate 1a",50,{"$nulls":5},"work-up",46.342]
["Dess-Martin periodinane",133,0.799,{"$nulls":4},"purification","na"]
["CH2Cl2",null,null,5,null,null,null,"total",53.108999999999995]
["Na2S2O3 (1% w/v in water)",25,0.942]
[]
["By-Products"]
["iodinane",null,1.619]
["acetic acid",null,0.635]
["remaining 1a + other",null,2.772]
[]
["Auxiliaries (work-up)"]
["Et2O",null,null,15]
["Na2SO4",200,7.535]
["NaHCO3 (saturated in water)",1030,38.807]
["water",null,null,12.5]