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"maps": [], - "bbox": [ - 82.24859289163459, - 430.74116686354256, - 146.78747940691937, - 25.700164744645804 - ] - }, - { - "id": "1301-tab1-c13", - "text": "Pd_2(dba)_3 as [Pd]", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 83.23706076642867, - 456.44133160818836, - 146.78747940691935, - 24.217462932454737 - ] - }, - { - "id": "1301-tab1-c14", - "text": "PdCl_2 as [Pd]", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 83.23706076642867, - 481.1530284780401, - 114.16803953871505, - 24.217462932454737 - ] - }, - { - "id": "1301-tab1-c15", - "text": "CF_3SO_3H as acid", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 84.22552490234375, - 505.3704528808594, - 144.31631469726562, - 25.205963134765625 - ] - }, - { - "id": "1301-tab1-c16", - "text": "H_2SO_4 as acid", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 82.24859289163459, - 531.0706561551407, - 123.55848434925872, - 22.240527182866572 - ] - }, - { - "id": "1301-tab1-c17", - "text": "PdCl_2 as [Pd], and 8.0 mol% PTSA", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 82.74282682903163, - 555.7823530249924, - 174.46457990115334, - 46.95222405271829 - ] - }, - { - "id": "1301-tab1-c18", - "text": "Heptane as solvent", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 82.74282682903163, - 604.2172788899018, - 167.0510708401978, - 25.20593080724882 - ] - }, - { - "id": "1301-tab1-c19", - "text": "MeCN as solvent", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 83.23706076642867, - 630.9059115093416, - 149.25864909390452, - 22.240527182866572 - ] - }, - { - "id": "1301-tab1-c20", - "text": "THF as solvent", - "start_row": "10", - "end_row": "10", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 83.7312947038257, - 655.6176083791934, - 131.46622734761127, - 24.711696869851835 - ] - }, - { - "id": "1301-tab1-c21", - "text": "Conversion \\textbf{\\refiden{1a}} [%]", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 265.60938366593456, - 335.3540169459148, - 130.97199341021422, - 59.30807248764421 - ] - }, - { - "id": "1301-tab1-c22", - "text": "99", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 267.58631941552267, - 428.7642311139544, - 29.654036243822134, - 25.20593080724882 - ] - }, - { - "id": "1301-tab1-c23", - "text": "99", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 269.56325516511083, - 456.44133160818836, - 26.688632619439886, - 21.25205930807249 - ] - }, - { - "id": "1301-tab1-c24", - "text": "99", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 268.57478729031675, - 481.1530284780401, - 26.194398682042845, - 23.228995057660654 - ] - }, - { - "id": "1301-tab1-c25", - "text": "99", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 270.5517230399049, - 506.85319322268595, - 24.21746293245468, - 22.240527182866572 - ] - }, - { - "id": "1301-tab1-c26", - "text": "99", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 271.54019091469894, - 531.5648900925377, - 22.734761120263613, - 20.757825370675505 - ] - }, - { - "id": "1301-tab1-c27", - "text": "99", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 272.034424852096, - 555.7823530249924, - 22.734761120263613, - 22.734761120263556 - ] - }, - { - "id": "1301-tab1-c28", - "text": "96", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 270.0574891025079, - 604.7115128272989, - 25.700164744645804, - 23.72322899505764 - ] - }, - { - "id": "1301-tab1-c29", - "text": "72", - "start_row": "9", - "end_row": "9", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 269.0690212277138, - 630.9059115093416, - 28.17133443163101, - 25.20593080724882 - ] - }, - { - "id": "1301-tab1-c30", - "text": "99", - "start_row": "10", - "end_row": "10", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 266.5978515407286, - 657.1003101913846, - 30.642504118616216, - 21.25205930807249 - ] - }, - { - "id": "1301-tab1-c31", - "text": "Yield \\textbf{\\refiden{3}} [%] (\\textit{n/iso})", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 405.4775879492954, - 338.31942057029704, - 96.86985172981883, - 56.34266886326196 - ] - }, - { - "id": "1301-tab1-c32", - "text": "trace", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 405.4775879492954, - 433.2123365505277, - 50.41186161449758, - 19.769357495881422 - ] - }, - { - "id": "1301-tab1-c33", - "text": "trace", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 404.98335401189837, - 455.9470976707913, - 50.90609555189462, - 21.25205930807249 - ] - }, - { - "id": "1301-tab1-c34", - "text": "trace", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 407.4545236988836, - 481.6472624154371, - 54.3657331136738, - 20.757825370675505 - ] - }, - { - "id": "1301-tab1-c35", - "text": "5 (72/28)", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 405.97182188669245, - 503.8877895983037, - 85.9967051070841, - 25.700164744645804 - ] - }, - { - "id": "1301-tab1-c36", - "text": "22 (93/7)", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 406.96028976148654, - 533.0475919047287, - 85.99670510708404, - 25.20593080724882 - ] - }, - { - "id": "1301-tab1-c37", - "text": "trace", - "start_row": "7", - "end_row": "7", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 409.4314594484717, - 558.2535227119776, - 44.975288303130185, - 23.228995057660654 - ] - }, - { - "id": "1301-tab1-c38", - "text": "48 (95/5)", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 405.97182188669245, - 606.1942146394899, - 86.98517298187812, - 24.217462932454737 - ] - }, - { - "id": "1301-tab1-c39", - "text": "50 (81/19)", - "start_row": "9", - "end_row": "9", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 405.4775879492954, - 630.4116775719447, - 95.38714991762777, - 26.688632619439886 - ] - }, - { - "id": "1301-tab1-c40", - "text": "13 (79/21)", - "start_row": "10", - "end_row": "10", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 408.4429915736776, - 657.1003101913846, - 93.4102141680396, - 24.71169686985172 - ] - }, - { - "id": "1301-tab1-c41", - "text": "Yield \\textbf{\\refiden{4aa}} [%] (\\textit{n/iso})", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 513.714820239246, - 336.8367187581059, - 89.95057660626037, - 56.34266886326196 - ] - }, - { - "id": "1301-tab1-c42", - "text": "92 (87/13)", - "start_row": "2", - "end_row": "2", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 514.2090541766431, - 433.2123365505277, - 93.4102141680396, - 20.757825370675505 - ] - }, - { - "id": "1301-tab1-c43", - "text": "89 (87/13)", - "start_row": "3", - "end_row": "3", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 512.7263523644519, - 456.44133160818836, - 95.88138385502486, - 22.734761120263613 - ] - }, - { - "id": "1301-tab1-c44", - "text": "93 (87/13)", - "start_row": "4", - "end_row": "4", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 516.1859899262313, - 482.6357302902312, - 91.43327841845144, - 21.25205930807249 - ] - }, - { - "id": "1301-tab1-c45", - "text": "89 (79/21)", - "start_row": "5", - "end_row": "5", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 515.1975220514372, - 506.85319322268595, - 91.92751235584842, - 23.72322899505764 - ] - }, - { - "id": "1301-tab1-c46", - "text": "71 (89/11)", - "start_row": "6", - "end_row": "6", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 516.1859899262313, - 533.0475919047287, - 88.46787479406919, - 22.240527182866572 - ] - }, - { - "id": "1301-tab1-c47", - "text": "93 (90/10)", - "start_row": "7", - "end_row": "7", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 515.6917559888342, - 555.7823530249924, - 89.95057660626037, - 24.71169686985172 - ] - }, - { - "id": "1301-tab1-c48", - "text": "41 (94/6)", - "start_row": "8", - "end_row": "8", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 513.714820239246, - 606.688448576887, - 85.50247116968706, - 22.734761120263556 - ] - }, - { - "id": "1301-tab1-c49", - "text": "5 (78/22)", - "start_row": "9", - "end_row": "9", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 513.220586301849, - 631.8943793841357, - 85.50247116968706, - 23.72322899505764 - ] - }, - { - "id": "1301-tab1-c50", - "text": "74 (76/24)", - "start_row": "10", - "end_row": "10", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 515.1975220514372, - 656.6060762539875, - 93.4102141680396, - 24.217462932454737 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1302.json b/ChemTable/josn/1302.json deleted file mode 100644 index 71f78b2805cd62b3acb648d6c542833b9a69ea6e..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1302.json +++ /dev/null @@ -1,712 +0,0 @@ -{ - "id": "1302", - "source": "https://doi.org/10.1002 anie.202215032", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Selected examples of the optimization of the copper-catalyzed silylation of 2\\textit{H}-azirines.\\refmark{[a]}", - "bbox": [ - 23.70904289661341, - 12.072020602149939, - 730.116003664295, - 66.7844057739899 - ] - } - ], - "annotations": [ - { - "text": "\\mark{[a]}All reactions were performed on a 0.20 mmol scale; MeOH was used as the proton source except in entries l and 8. \\mark{[b]} Determined by ^1H NMR spectroscopy with CH_2Br_2 as an internal standard. \\mark{[c]}Determined by HPLC analysis on a chiral stationary phase. \\mark{[d]}93 % yield and 92% \\textit{ee} were obtained on a 1.0-mmol scale. \\mark{[e]} Isolated yield after purification by flash chromatography on silica gel.", - "bbox": [ - 25.514026836450977, - 618.8707060207151, - 723.7985598748635, - 189.52331368294426 - ] - } - ], - "reactions": [ - { - "id": "1302-rea1", - "reactants": [ - { - "id": "1302-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]N1CC=1C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 29.34502805590959, - 139.87722766501398, - 114.44942012142103, - 136.9423697406598 - ] - } - ], - "conditions": [ - { - "id": "1302-rea1-con1", - "text": "Cu(CH_3CN)_4PF_6(3.0 mol%)", - "maps": [], - "bbox": [ - 156.26747743393253, - 88.43444589326391, - 255.21384973347108, - 26.34465545635831 - ] - }, - { - "id": "1302-rea1-con2", - "text": "(\\textit{R,R})-Ph-BPE(\\textbf{\\refiden{L1}}, 3.6 mol%)", - "maps": [], - "bbox": [ - 145.83938464912404, - 113.68140737227395, - 271.679259393695, - 24.69811449033591 - ] - }, - { - "id": "1302-rea1-con3", - "text": "LiO\\textit{t}Bu (40 mol%)", - "maps": [], - "bbox": [ - 201.82177749388543, - 136.18413390791335, - 166.3006375682618, - 24.149267501661768 - ] - }, - { - "id": "1302-rea1-con4", - "text": "Me_2PhSiBpin (\\textbf{\\refiden{2a}}, 1.5 equiv)", - "maps": [], - "bbox": [ - 153.5232391357422, - 159.23570251464844, - 256.31153869628906, - 24.149261474609375 - ] - }, - { - "id": "1302-rea1-con5", - "text": "MeOH:H_2O(1:1, 2.0 equiv)", - "maps": [], - "bbox": [ - 161.20710033199973, - 190.51998578665234, - 246.98114490335914, - 24.69811449033591 - ] - }, - { - "id": "1302-rea1-con6", - "text": "THF", - "maps": [], - "bbox": [ - 259.99955829334334, - 214.66925328831414, - 49.945075969345964, - 20.856185569616997 - ] - }, - { - "id": "1302-rea1-con7", - "text": "0 ℃ to RT for 17 h", - "maps": [], - "bbox": [ - 190.8448377204028, - 233.87889789190874, - 180.0218122851151, - 27.44234943370654 - ] - } - ], - "products": [ - { - "id": "1302-rea1-pro-sub1", - "text": "(\\textit{S})-\\iden{3aa}", - "maps": [ - { - "identifier": "3aa", - "smiles": "[#smiles#]C[Si@@](C2=CC=CC=C2)(C)[C@]3(NC3)[C@@]1=CC=CC=C1[#smiles#]" - } - ], - "bbox": [ - 426.9409904430427, - 118.70739272925978, - 130.32679632323658, - 162.08154872686794 - ] - } - ], - "text": "", - "bbox": [ - 21.001566986857064, - 83.69296785887714, - 538.7877060415132, - 201.25570929188848 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1302-tab1", - "text": "", - "bbox": [ - 19.773450781273723, - 286.6095634870823, - 710.1796663894673, - 323.8966228178196 - ], - "data": [ - { - "id": "1302-tab1-c1", - "text": "Entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 29.273646245658362, - 288.3184814851976, - 63.7149483671109, - 30.829813726021428 - ] - }, - { - "id": "1302-tab1-c2", - "text": "1\\refmark{[d]}", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 28.2459857881243, - 362.8185301900922, - 38.023436928759736, - 33.91279509862352 - ] - }, - { - "id": "1302-tab1-c3", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 28.759816016891325, - 396.2174950599487, - 31.34364395478843, - 30.829813726021428 - ] - }, - { - "id": "1302-tab1-c4", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 27.732155559357277, - 426.53347855720307, - 24.1500207520501, - 29.288323039720353 - ] - }, - { - "id": "1302-tab1-c5", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 24.64917418675514, - 455.3079713681564, - 28.774492810953312, - 27.233002124652216 - ] - }, - { - "id": "1302-tab1-c6", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 27.218325330590257, - 484.5962944078767, - 24.66385098081712, - 29.80215326848736 - ] - }, - { - "id": "1302-tab1-c7", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 28.2459857881243, - 514.9122779051311, - 22.09469983698201, - 28.77449281095346 - ] - }, - { - "id": "1302-tab1-c8", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 27.218325330590257, - 545.7420916311526, - 23.122360294516053, - 29.288323039720353 - ] - }, - { - "id": "1302-tab1-c9", - "text": "8", - "start_row": "9", - "end_row": "9", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 27.218325330590257, - 575.5442448996399, - 22.094699836982006, - 31.34364395478849 - ] - }, - { - "id": "1302-tab1-c10", - "text": "Variation", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 108.91733170454698, - 287.2854865613397, - 101.73838529587063, - 33.39896486985657 - ] - }, - { - "id": "1302-tab1-c11", - "text": "none", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 110.97265261961508, - 368.4706627065294, - 60.118136765741724, - 25.177681209584193 - ] - }, - { - "id": "1302-tab1-c12", - "text": "(Ph_3P)_2CuBH_4 instead of Cu(CH_3CN)_4PF_6", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 110.45882239084806, - 396.7313252887157, - 424.4237689615614, - 29.288323039720353 - ] - }, - { - "id": "1302-tab1-c13", - "text": "CuCN instead of Cu(CH_3CN)_4PF_6", - 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"id": "1302-tab1-c17", - "text": "2-Me-THF instead of THF", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 108.40350147577996, - 547.7974125462207, - 267.7055491876192, - 25.6915114383512 - ] - }, - { - "id": "1302-tab1-c18", - "text": "LiOMe instead of LiO\\textit{t}Bu", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 108.91733170454698, - 576.0580751284069, - 266.1640585013181, - 27.746832353419336 - ] - }, - { - "id": "1302-tab1-c19", - "text": "Yield [%]\\refmark{[b]}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 552.3528191304882, - 287.2854865613397, - 60.63196699450873, - 59.09047630820771 - ] - }, - { - "id": "1302-tab1-c20", - "text": "98 (85)\\refmark{[e]}", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 545.1591959277499, - 364.87385110516027, - 97.6277434657344, - 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"id": "1303", - "source": "https://doi.org/10.1002 anie.202215032", - "data": { - "title": [ - { - "type": "Table", - "index": "S3", - "text": "Catalyst screening.", - "bbox": [ - 12.82971835953239, - 7.834441757355854, - 312.61588069326893, - 34.98589278516728 - ] - } - ], - "annotations": [ - { - "text": "\\mark{[a]} All reactions were performed on a 0.20 mmol scale. \\mark{[b]} Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. \\mark{[c]} Determined by HPLC analysis on a chiral stationary phase. n.d. = not detected.", - "bbox": [ - 13.958295546150625, - 704.1665659008465, - 853.2043530834342, - 100.44336960902865 - ] - } - ], - "reactions": [ - { - "id": "1303-rea1", - "reactants": [ - { - "id": "1303-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]N1CC=1C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 121.17312827488905, - 116.17785167271262, - 134.30068520757763, - 171.5437323659815 - ] - } - ], - "conditions": [ - { - "id": "1303-rea1-con1", - "text": "Catalyst (3.0 mol%)", - "maps": [], - "bbox": [ - 329.045675461985, - 57.77515234766179, - 195.22135444077225, - 25.46365492705725 - ] - }, - { - "id": "1303-rea1-con2", - "text": "\\textit{(R,R)}-Ph-BPE (\\textbf{\\refiden{L1}}, 3.6 mol%)", - "maps": [], - "bbox": [ - 288.7282218274777, - 81.82415977877142, - 279.392880449656, - 28.2929499189525 - ] - }, - { - "id": "1303-rea1-con3", - "text": "LiO\\textit{t}Bu (40 mol%)", - "maps": [], - "bbox": [ - 333.28961794982786, - 110.11710969772392, - 182.4895269772436, - 21.92703618718818 - ] - }, - { - "id": "1303-rea1-con4", - "text": "Me_2PhSiBpin (\\textbf{\\refiden{2a}}, 1.5 equiv)", - "maps": [], - "bbox": [ - 285.1916030876086, - 132.75146963288591, - 278.6855567016822, - 24.04900743110963 - ] - }, - { - "id": "1303-rea1-con5", - "text": "MeOH (4.0 equiv)", - "maps": [], - "bbox": [ - 339.6555316815922, - 190.75201696673855, - 173.2943182535841, - 24.756331179083418 - ] - }, - { - "id": "1303-rea1-con6", - "text": "THF", - "maps": [], - "bbox": [ - 398.3634027634186, - 215.50834814582197, - 54.46392859398361, - 19.805064943266757 - ] - }, - { - "id": "1303-rea1-con7", - "text": "0 ℃ to RT, 17 h", - "maps": [], - "bbox": [ - 326.92370421806356, - 236.72806058503636, - 185.31882196913887, - 27.585626170978685 - ] - } - ], - "products": [ - { - "id": "1303-rea1-pro-sub1", - "text": "\\textit{(S)}-\\iden{3aa}", - "maps": [ - { - "identifier": "3aa", - "smiles": "[#smiles#][C@](C1=CC=CC=C1)([Si@@](C1=CC=CC=C1)(C)C)1NC1[#smiles#]" - } - ], - "bbox": [ - 597.4327010278114, - 104.89207980652962, - 161.38653768641677, - 183.9580814187828 - ] - } - ], - "text": "", - "bbox": [ - 86.18723548972179, - 49.591797662232956, - 676.0177347843612, - 246.02982668278926 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1303-tab1", - "text": "", - "bbox": [ - 41.165917176755976, - 320.01002356673484, - 804.7960033305582, - 379.5503746877604 - ], - "data": [ - { - "id": "1303-tab1-c1", - "text": "\\textbf{Entry}\\refmark{[a]}", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 48.85315473229282, - 332.9012135198161, - 90.57888762769583, - 30.192962542565283 - ] - }, - { - "id": "1303-tab1-c2", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 83.9378433227539, - 384.54705810546875, - 23.712133407592773, - 27.809326171875 - ] - }, - { - "id": "1303-tab1-c3", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 79.84066892071509, - 430.63106596022476, - 24.63110102156641, - 31.78206583427925 - ] - }, - { - "id": "1303-tab1-c4", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 79.84066892071509, - 479.0987163575006, - 24.63110102156641, - 31.78206583427925 - ] - }, - { - "id": "1303-tab1-c5", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 78.25156562900112, - 528.3609184006334, - 25.425652667423392, - 26.22020431328042 - ] - }, - { - "id": "1303-tab1-c6", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 80.63522056657206, - 566.4993974017685, - 23.83654937570944, - 30.987514188422324 - ] - }, - { - "id": "1303-tab1-c7", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 76.66246233728717, - 620.5289093200432, - 27.80930760499433, - 27.014755959137347 - ] - }, - { - "id": "1303-tab1-c8", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 80.63522056657206, - 663.4346981963203, - 24.631101021566423, - 28.603859250851315 - ] - }, - { - "id": "1303-tab1-c9", - "text": "\\textbf{Catalyst}", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 299.13692317724184, - 328.9284552905312, - 96.93530079455172, - 34.165720771850204 - ] - }, - { - "id": "1303-tab1-c10", - "text": "(Ph_3P)_2CuBH_4", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 269.73851228053354, - 384.5470705005199, - 150.17026106696943, - 30.192962542565283 - ] - }, - { - "id": "1303-tab1-c11", - "text": "CuCN", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 311.84974951095353, - 433.0147208977957, - 65.94778660612945, - 25.425652667423435 - ] - }, - { - "id": "1303-tab1-c12", - "text": "CuI", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 321.38436926123734, - 477.50961306578665, - 43.700340522133956, - 28.603859250851315 - ] - }, - { - "id": "1303-tab1-c13", - "text": "CuTc", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 309.46609457338263, - 523.5936085254916, - 65.15323496027241, - 27.809307604994274 - ] - }, - { - "id": "1303-tab1-c14", - "text": "Cu(acac)_2", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 285.62954519767317, - 572.0612589227674, - 112.82633371169135, - 29.398410896708356 - ] - }, - { - "id": "1303-tab1-c15", - "text": "Cu(NO_3_)2", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 292.780510010386, - 617.3507027366153, - 100.1135073779796, - 30.192962542565283 - ] - }, - { - "id": "1303-tab1-c16", - "text": "Cu(OTf)_2", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 298.3423715313849, - 666.6129047797482, - 93.75709421112379, - 28.603859250851315 - ] - }, - { - "id": "1303-tab1-c17", - "text": "\\textbf{Yield/%}\\refmark{[b]}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 558.1607597266177, - 332.1066618739591, - 103.29171396140748, - 35.75482406356417 - ] - }, - { - "id": "1303-tab1-c18", - "text": "79", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 581.9973091023271, - 381.36886391709197, - 43.700340522133956, - 33.37116912599322 - ] - }, - { - "id": "1303-tab1-c19", - "text": "31", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 589.1482739150399, - 427.4528593767969, - 34.16572077185026, - 30.987514188422267 - ] - }, - { - "id": "1303-tab1-c20", - "text": "18", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 587.5591706233259, - 477.50961306578665, - 38.933030646992165, - 30.192962542565283 - ] - }, - { - "id": "1303-tab1-c21", - "text": "38", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 589.1482739150399, - 521.2099535879206, - 33.37116912599322, - 34.16572077185015 - ] - }, - { - "id": "1303-tab1-c22", - "text": "45", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 585.175515685755, - 569.6776039851965, - 44.49489216799088, - 37.34392735527808 - ] - }, - { - "id": "1303-tab1-c23", - "text": "trace", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 579.6136541647562, - 619.7343576741863, - 60.385925085130566, - 29.398410896708242 - ] - }, - { - "id": "1303-tab1-c24", - "text": "80", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 587.5591706233259, - 666.6129047797482, - 38.138479001135124, - 27.809307604994274 - ] - }, - { - "id": "1303-tab1-c25", - "text": "\\textit{\\textbf{ee}}\\textbf{/%}\\refmark{[c]}", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 738.5239833361524, - 331.31211022810214, - 76.27695800227025, - 32.576617480136235 - ] - }, - { - "id": "1303-tab1-c26", - "text": "88", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 752.031361315721, - 382.95796720880594, - 42.90578887627703, - 27.80930760499433 - ] - }, - { - "id": "1303-tab1-c27", - "text": "21", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 756.7986711908629, - 430.63106596022476, - 30.192962542565283, - 27.809307604994387 - ] - }, - { - "id": "1303-tab1-c28", - "text": "57", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 757.59322283672, - 477.50961306578665, - 34.16572077185015, - 30.987514188422267 - ] - }, - { - "id": "1303-tab1-c29", - "text": "29", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 757.59322283672, - 523.5936085254916, - 34.16572077185015, - 27.809307604994274 - ] - }, - { - "id": "1303-tab1-c30", - "text": "38", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 756.004119545006, - 569.6776039851965, - 38.93303064699205, - 33.37116912599322 - ] - }, - { - "id": "1303-tab1-c31", - "text": "n.d.", - "start_row": "7", - "end_row": "7", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 748.8531547322931, - 617.3507027366153, - 44.494892167991, - 30.987514188422324 - ] - }, - { - "id": "1303-tab1-c32", - "text": "49", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 755.209567899149, - 663.4346981963203, - 38.93303064699205, - 29.398410896708242 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1304.json b/ChemTable/josn/1304.json deleted file mode 100644 index 60b4da0da3940c1a962fca7a6dcac7749165ecbc..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1304.json +++ /dev/null @@ -1,532 +0,0 @@ -{ - "id": "1304", - "source": "https://doi.org/10.1002 anie.202215032", - "data": { - "title": [ - { - "type": "Table", - "index": "S4", - "text": "Solvent screening.", - "bbox": [ - 13.379146038606184, - 5.329133986795248, - 329.7867757915142, - 42.38638811113505 - ] - } - ], - "annotations": [ - { - "text": "\\mark{[a]} All reactions were performed on a 0.20 mmol scale. \\mark{[b]} Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. \\mark{[c]} Determined by HPLC analysis on a chiral stationary phase. \\mark{[d]}MeOH:H_2O (1:1, 2.0 equiv) as proton source. \\mark{[e]} Isolated yield after flash chromatography on silica gel. n.d.= not detected.", - "bbox": [ - 16.480589071128232, - 680.409900732434, - 941.8048675425374, - 130.26060736592717 - ] - } - ], - "reactions": [ - { - "id": "1304-rea1", - "reactants": [ - { - "id": "1304-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]N1CC=1C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 132.26779561861912, - 135.5897413527225, - 144.73400818436357, - 181.95132457462853 - ] - } - ], - "conditions": [ - { - "id": "1304-rea1-con1", - "text": "Cu(CH_3CN)_4PF_6 (3.0 mol%)", - "maps": [], - "bbox": [ - 321.5034560219426, - 70.47365333942163, - 291.6749679806462, - 31.42165931407429 - ] - }, - { - "id": "1304-rea1-con2", - "text": "(\\textit{R,R})-Ph-BPE(\\textbf{\\refiden{L1}}, 3.6 mol%)", - "maps": [], - "bbox": [ - 315.3557400691889, - 101.89531265349592, - 308.7519567382953, - 25.273943361320633 - ] - }, - { - "id": "1304-rea1-con3", - "text": "LiO\\textit{t}Bu (40 mol%)", - "maps": [], - "bbox": [ - 361.8051494899944, - 126.48617646451059, - 200.8253877899532, - 27.32318201223852 - ] - }, - { - "id": "1304-rea1-con4", - "text": "Me_2PhSiBpin (\\textbf{\\refiden{2a}}, 1.5 equiv)", - "maps": [], - "bbox": [ - 314.67266051888294, - 153.12627892644315, - 299.1888430340118, - 27.323182012238533 - ] - }, - { - "id": "1304-rea1-con5", - "text": "MeOH (4.0 equiv)", - "maps": [], - "bbox": [ - 372.05134274458385, - 216.65267710489772, - 191.9453536359756, - 28.006261562544495 - ] - }, - { - "id": "1304-rea1-con6", - "text": "solvent", - "maps": [], - "bbox": [ - 423.2823090175311, - 243.2927795668303, - 89.48342109008121, - 23.907784260708695 - ] - }, - { - "id": "1304-rea1-con7", - "text": "0 ℃ to RT, 17 h", - "maps": [], - "bbox": [ - 380.2482973482554, - 267.200563827539, - 178.9668421801623, - 28.006261562544466 - ] - } - ], - "products": [ - { - "id": "1304-rea1-pro-sub1", - "text": "(\\textit{S})-\\iden{3aa}", - "maps": [ - { - "identifier": "3aa", - "smiles": "[#smiles#][C@](C1=CC=CC=C1)([Si@@](C1=CC=CC=C1)(C)C)1NC1[#smiles#]" - } - ], - "bbox": [ - 663.6483685240682, - 114.913454469242, - 162.30885203532205, - 202.62761145810904 - ] - } - ], - "text": "", - "bbox": [ - 126.06490955357495, - 59.08747988384461, - 712.2980831359037, - 264.6564721085506 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1304-tab1", - "text": "", - "bbox": [ - 43.05632201516613, - 352.7174019297141, - 867.3702347620076, - 320.4824466939479 - ], - "data": [ - { - "id": "1304-tab1-c1", - "text": "\\textbf{Entry}\\refmark{[a]}", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 55.649443743475736, - 368.81959823007617, - 90.02617039837168, - 39.08112823495202 - ] - }, - { - "id": "1304-tab1-c2", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 87.05392178941933, - 428.1391678724141, - 27.91509159639432, - 31.404478045943563 - ] - }, - { - "id": "1304-tab1-c3", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 87.75179907932919, - 478.3863327459238, - 27.217214306484465, - 34.19598720558304 - ] - }, - { - "id": "1304-tab1-c4", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 85.65816720959963, - 527.9356203295238, - 30.008723466123882, - 36.289619075312544 - ] - }, - { - "id": "1304-tab1-c5", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 86.35604449950948, - 581.6721716525828, - 27.91509159639432, - 34.893864495492835 - ] - }, - { - "id": "1304-tab1-c6", - "text": "5\\refmark{[d]}", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 78.67939431050104, - 629.1278273664532, - 41.174760104681624, - 37.68537365513225 - ] - }, - { - "id": "1304-tab1-c7", - "text": "\\textbf{Solvent}", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 323.63432306886114, - 368.81959823007617, - 105.37947077638853, - 31.404478045943563 - ] - }, - { - "id": "1304-tab1-c8", - "text": "Toluene", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 325.03007764868084, - 427.4412905825042, - 98.40069787728999, - 34.19598720558304 - ] - }, - { - "id": "1304-tab1-c9", - "text": "CH_3CN", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 332.7067278376893, - 479.0842100358337, - 87.93253852864211, - 28.612968886304202 - ] - }, - { - "id": "1304-tab1-c10", - "text": "2-Me-THF", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 304.791636241295, - 528.6334976194336, - 131.20093050305326, - 32.10235533585353 - ] - }, - { - "id": "1304-tab1-c11", - "text": "Et_2O", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 343.872764476247, - 581.6721716525828, - 68.39197441116607, - 28.61296888630409 - ] - }, - { - "id": "1304-tab1-c12", - "text": "THF", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 343.1748871863372, - 632.6172138160024, - 61.413201512067474, - 29.310846176214 - ] - }, - { - "id": "1304-tab1-c13", - "text": "\\textbf{Yield/%}\\refmark{[b]}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 609.7640119319029, - 368.81959823007617, - 110.96248909566737, - 38.383250945042164 - ] - }, - { - "id": "1304-tab1-c14", - "text": "92", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 643.959999137486, - 430.23279974214364, - 48.85141029369004, - 30.00872346612391 - ] - }, - { - "id": "1304-tab1-c15", - "text": "trace", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 631.3982079191085, - 477.68845545601397, - 69.78772899098578, - 32.80023262576333 - ] - }, - { - "id": "1304-tab1-c16", - "text": "46", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 641.1684899778464, - 530.7271294891632, - 51.64291945332957, - 30.70660075603371 - ] - }, - { - "id": "1304-tab1-c17", - "text": "85", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 646.7515082971254, - 573.9955214635744, - 45.36202384414071, - 43.2683919744112 - ] - }, - { - "id": "1304-tab1-c18", - "text": "98(85)\\refmark{[e]}", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 616.0449075410916, - 629.1278273664532, - 101.1922070369294, - 35.591741785402746 - ] - }, - { - "id": "1304-tab1-c19", - "text": "\\textit{\\textbf{ee}}\\textbf{/%}\\refmark{[c]}", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 803.0760212369335, - 362.5387026208874, - 88.63041581855202, - 40.476882814771784 - ] - }, - { - "id": "1304-tab1-c20", - "text": "89", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 826.1059718039588, - 422.5561495531352, - 44.66414655423091, - 42.57051468450135 - ] - }, - { - "id": "1304-tab1-c21", - "text": "n.d.", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 811.4505487158518, - 477.68845545601397, - 69.08985170107587, - 34.89386449549289 - ] - }, - { - "id": "1304-tab1-c22", - "text": "31", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 828.8974809635982, - 525.1441111698844, - 41.87263739459149, - 39.77900552486187 - ] - }, - { - "id": "1304-tab1-c23", - "text": "87", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 825.4080945140489, - 578.8806624929433, - 46.05990113405062, - 34.89386449549295 - ] - }, - { - "id": "1304-tab1-c24", - "text": "95", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 827.5017263837785, - 629.1278273664532, - 46.75777842396053, - 31.404478045943506 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1305.json b/ChemTable/josn/1305.json deleted file mode 100644 index 03be4f6bb0403a5310c4099cca61e4bc38ddd083..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1305.json +++ /dev/null @@ -1,363 +0,0 @@ -{ - "id": "1305", - "source": "https://doi.org/10.1002 anie.202215032", - "data": { - "title": [ - { - "type": "Table", - "index": "S5", - "text": "Additive screening.", - "bbox": [ - 28.320512820512803, - 20.05128205128205, - 378.6153846153846, - 46.00000000000001 - ] - } - ], - "annotations": [ - { - "text": "\\mark{[a]} All reactions were performed on a 0.20 mmol scale. \\mark{[b]} Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. \\mark{[c]} Determined by HPLC analysis on a chiral stationary phase. \\mark{[d]} Ar = 3,5-Ditrifluoromethylphenyl", - "bbox": [ - 24.26061672173991, - 609.6736309463961, - 1062.7431461166304, - 114.29709120592508 - ] - } - ], - "reactions": [ - { - "id": "1305-rea1", - "reactants": [ - { - "id": "1305-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]N1CC=1C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 168.23099122151098, - 150.28724513796627, - 156.05948991578236, - 225.29715093475622 - ] - } - ], - "conditions": [ - { - "id": "1305-rea1-con1", - "text": "Cu(CH_3CN)_4PF_6 (3.0 mol%)", - "maps": [], - "bbox": [ - 366.92313670320436, - 81.89896945714172, - 341.5445902611989, - 29.631722442752405 - ] - }, - { - "id": "1305-rea1-con2", - "text": "(\\textit{R,R})-Ph-BPE(\\textbf{\\refiden{L1}}, 3.6 mol%)", - "maps": [], - "bbox": [ - 361.46466151638157, - 109.9711275608019, - 357.9200158216674, - 29.63172244275242 - ] - }, - { - "id": "1305-rea1-con3", - "text": "LiO\\textit{t}Bu (40 mol%)", - "maps": [], - "bbox": [ - 423.8472350800709, - 137.26350349491597, - 223.7974826597353, - 34.310415460029105 - ] - }, - { - "id": "1305-rea1-con4", - "text": "Me_2PhSiBpin (\\textbf{\\refiden{2a}}, 1.5 equiv)", - "maps": [], - "bbox": [ - 361.46466151638157, - 170.01435461585285, - 347.0030654480217, - 31.19128678184464 - ] - }, - { - "id": "1305-rea1-con5", - "text": "additive (3.6 mol%)", - "maps": [], - "bbox": [ - 419.94832423234027, - 241.75431421409553, - 235.49421520292708, - 31.191286781844667 - ] - }, - { - "id": "1305-rea1-con6", - "text": "MeOH:H_2O (1:1, 2.0 equiv)", - "maps": [], - "bbox": [ - 374.7209583986656, - 272.16581882639406, - 325.94894687027653, - 29.631722442752448 - ] - }, - { - "id": "1305-rea1-con7", - "text": "THF", - "maps": [], - "bbox": [ - 501.8254520346825, - 302.5773234386926, - 80.31756346324994, - 22.613682916837377 - ] - }, - { - "id": "1305-rea1-con8", - "text": "0 ℃ to RT, 17 h", - "maps": [], - "bbox": [ - 407.47180951960246, - 328.31013503371446, - 243.2920368983883, - 29.63172244275239 - ] - } - ], - "products": [ - { - "id": "1305-rea1-pro-sub1", - "text": "(\\textit{S})-\\iden{3aa}", - "maps": [ - { - "identifier": "2aa", - "smiles": "[#smiles#][C@](C1=CC=CC=C1)([Si@@](C1=CC=CC=C1)(C)C)1NC1[#smiles#]" - } - ], - "bbox": [ - 762.7956675907944, - 133.8020877524963, - 185.73277320962836, - 247.2773607820495 - ] - } - ], - "text": "", - "bbox": [ - 153.94385482077033, - 76.65354214953375, - 798.9806279491112, - 315.4160113086587 - 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28.30264469449392 - ] - }, - { - "id": "1306-rea1-con4", - "text": "Me_2PhSiBpin (\\textbf{\\refiden{2a}}, 1.5 equiv)", - "maps": [], - "bbox": [ - 363.4888881330973, - 171.4680039545311, - 340.32204474110966, - 32.444495137590565 - ] - }, - { - "id": "1306-rea1-con5", - "text": "MeOH:H_2O (1:1, 2.0 equiv)", - "maps": [], - "bbox": [ - 363.4888881330973, - 240.67112815384115, - 336.18019429801296, - 33.134803544773376 - ] - }, - { - "id": "1306-rea1-con6", - "text": "THF", - "maps": [], - "bbox": [ - 500.1699527552874, - 272.9433398103995, - 72.48238275419175, - 29.68326150885946 - ] - }, - { - "id": "1306-rea1-con7", - "text": "0 ℃ to RT, 17 h", - "maps": [], - "bbox": [ - 413.1910934502573, - 302.62660131925895, - 226.42115755595125, - 32.44449513759059 - ] - } - ], - "products": [ - { - "id": "1306-rea1-pro-sub1", - "text": "(\\textit{S})-\\iden{3aa}", - "maps": [ - { - "identifier": "3aa", - "smiles": "[#smiles#][C@](C1=CC=CC=C1)([Si@@](C1=CC=CC=C1)(C)C)1NC1[#smiles#]" - } - ], - "bbox": [ - 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"text": "\\mark{[a]} All reactions were performed outside the glove box on a 0.10 mmol scale. \\mark{[b]} Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. \\mark{[c]} Determined by HPLC analysis on a chiral stationary phase. \\mark{[d]} NaOMe was quickly weighed out outside the glovebox and then returned for storage.", - "bbox": [ - 15.658543027365681, - 617.9616866703141, - 1065.614659265142, - 131.46373020590124 - ] - } - ], - "reactions": [ - { - "id": "1307-rea1", - "reactants": [ - { - "id": "1307-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]N1CC=1C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 28.24357731632851, - 188.50115314584892, - 149.0012078093402, - 193.3845463057394 - ] - } - ], - "conditions": [ - { - "id": "1307-rea1-con1", - "text": "McQuade's NHC-copper(Ⅰ)", - "maps": [], - "bbox": [ - 213.9977095123452, - 125.95552231516845, - 312.5503041647171, - 31.878744992410162 - ] - }, - { - "id": "1307-rea1-con2", - 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"bbox": [ - 23.730889798986546, - 11.61165727539183, - 1411.4991619726002, - 42.46077697820949 - ] - } - ], - "annotations": [ - { - "text": "\\mark{[a]} BET surface area (\\textit{SA}_{BET}) calculated from N_2 adsorption isotherm obtained at 77 K. \\mark{[b]}CO_2 uptakes at 1 bar and 273 K.\\mark{[c]}Total free volume (\\textit{V}_{Total}) estimated from N_2 adsorption at \\textit{p/p_0}=0.98. \\mark{[d]}Young's modulus of membranes measured by atomic force microscopy (AFM). \\mark{[e]}From GPC analysis relative to polystyrene standards. \\mark{[f]}Not measured due to insolubility in an appropriate solvent for GPC. \\mark{[g]}Partially soluble in quinoline.", - "bbox": [ - 31.690731253582218, - 502.08737162738953, - 1682.593929450369, - 146.18539786710414 - ] - } - ], - "reactions": [], - "substances": [], - "tables": [ - { - "id": "1308-tab1", - "text": "", - "bbox": [ - 18.53404544554284, - 60.60747006873495, - 1716.216570959803, - 429.7850697292863 - ], - "data": [ - { - "id": "1308-tab1-c1", - "text": "Polymer", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 26.536108346741415, - 70.32616372093668, - 110.01790204797335, - 41.1631606301941 - ] - }, - { - "id": "1308-tab1-c2", - "text": "PIM-1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 30.278213858577242, - 168.36932813103536, - 76.33895244145089, - 29.93684409468662 - ] - }, - { - "id": "1308-tab1-c3", - "text": "PIM-DBMP_{0.1}", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 27.28452944910858, - 201.29985663519065, - 161.65895811130775, - 37.42105511835828 - ] - }, - { - "id": "1308-tab1-c4", - "text": "PIM-DBMP_{0.25}", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 26.536108346741415, - 240.21775395828325, - 178.1242223633854, - 32.18210740178813 - ] - }, - { - "id": "1308-tab1-c5", - "text": "PIM-DBMP_{0.5}", - 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"end_col": "8", - "maps": [], - "bbox": [ - 1545.830217812071, - 377.043255296325, - 147.23374754818246, - 32.78484257145766 - ] - }, - { - "id": "1308-tab1-c79", - "text": "NMP", - "start_row": "9", - "end_row": "9", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 1547.6184819523323, - 414.00071419505906, - 73.31882975071426, - 32.78484257145766 - ] - }, - { - "id": "1308-tab1-c80 ", - "text": "DMSO, NMP", - "start_row": "10", - "end_row": "10", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 1545.830217812071, - 449.76599700028555, - 166.90465309105707, - 30.40049038444255 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1309.json b/ChemTable/josn/1309.json deleted file mode 100644 index 495006a8ed8deb2e40b9580c58b56dac0c3fe0e6..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1309.json +++ /dev/null @@ -1,1299 +0,0 @@ -{ - "id": "1309", - "source": "https://doi.org/10.1002 anie.202215381", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Reaction optimization.", - "bbox": [ - 11.296224186988844, - 11.07528462521761, - 345.03038321624683, - 34.359872187510064 - ] - } - ], - "annotations": [ - { - "text": "Reactions were run on a 0.1 mmol scale in 1 mL of solvent[0.1 M] using 10 mol% of catalst. \\mark{[a]}Yield and selectivity of \\textbf{\\refiden{2a}} and \\textbf{\\refiden{3a}} was determined by ^1H NMR from the crude reaction mixture using mesitylene as an internal standard.\\mark{[b]}Atmospheric oxygen was used as the terminal oxidant. \\mark{[c]}The reaction was run without the addition of water and under an Ar atmosphere. \\mark{[d]}Reaction was run with 5 mol% catalyst and stopped after 3 h.", - "bbox": [ - 18.407185628742514, - 654.0153977758769, - 1480.4636441402906, - 128.8502994011975 - ] - } - ], - "reactions": [ - { - "id": "1309-rea1", - "reactants": [ - { - "id": "1309-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]C1(C=CC=CC=1)C1(CC(=C)C1)C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 437.1329579202053, - 73.82245912850054, - 105.26020857914602, - 133.39009190633163 - ] - } - ], - "conditions": [ - { - "id": "1309-rea1-con1", - "text": "Catalyst, Oxidant", - "maps": [], - "bbox": [ - 604.8008472352151, - 70.35528996337355, - 128.85497178706748, - 19.021448216186158 - ] - }, - { - "id": "1309-rea1-con2", - "text": "H_2O (30 eq)", - "maps": [], - "bbox": [ - 617.6863444139218, - 89.37673817955971, - 101.85678722215812, - 19.6350433199341 - ] - }, - { - "id": "1309-rea1-con3", - "text": "(Solvent) 30 ℃, 18 h", - "maps": [], - "bbox": [ - 581.4842332927933, - 106.01647971892196, - 171.19303394567544, - 20.86223352742998 - ] - } - ], - "products": [ - { - "id": "1309-rea1-pro-sub1", - "text": "\\iden{2a}", - "maps": [ - { - "identifier": "2a", - "smiles": "[#smiles#]O=C1CCC(C1)(C1C=CC=CC=1)C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 823.6919997712072, - 62.93347203410612, - 87.11189675515539, - 147.0013257743247 - ] - }, - { - "id": "1309-rea1-pro-sub2", - "text": "\\iden{3a}", - "maps": [ - { - "identifier": "3a", - "smiles": "[#smiles#]O=CC1CC(C1)(C1C=CC=CC=1)C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 978.7673490416507, - 62.02605644290658, - 113.42694889994186, - 148.81615695672377 - ] - } - ], - "text": "", - "bbox": [ - 426.1512451171875, - 60.21122360229492, - 686.0062255859375, - 156.07548904418945 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1309-tab1", - "text": "", - "bbox": [ - 11.387199684120562, - 217.09016219414897, - 1509.604679780284, - 431.81310332815497 - ], - "data": [ - { - "id": "1309-tab1-c1", - "text": "#", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.882846401446667, - 226.4751044563135, - 24.05529532226944, - 26.383227127650343 - ] - }, - { - "id": "1309-tab1-c2", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.10686913298636, - 279.2415587116142, - 22.503340785348833, - 24.055295322269444 - ] - }, - { - "id": "1309-tab1-c3", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.10686913298636, - 308.72869491310576, - 23.279318053809135, - 24.055295322269444 - ] - }, - { - "id": "1309-tab1-c4", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 20.554914596065753, - 336.6638765776767, - 24.831272590729743, - 26.383227127650343 - ] - }, - { - "id": "1309-tab1-c5", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.10686913298636, - 367.7029673160889, - 23.279318053809135, - 26.383227127650343 - ] - }, - { - "id": "1309-tab1-c6", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.882846401446667, - 397.96608078604083, - 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"id": "1314", - "source": "https://doi.org/10.1002 anie.202217186", - "data": { - "title": [ - { - "type": "Table", - "index": "S2", - "text": "Composition (measured by ICP) and mean diameter of the Mn_3O_4:M nanoparticles (from TEM).", - "bbox": [ - 6.015242715838054, - 8.086918941381594, - 1029.6967615580297, - 41.906263551780285 - ] - } - ], - "annotations": [ - { - "text": "\\mark{[a]}Initial molar ratio between substituent\nand Mn precursor was 0.025 to 1, except for Mn_3O_4:Sr (0.05) where the ratio was 0.05 to 1.", - "bbox": [ - 6.679515880838354, - 658.7774978935016, - 1256.6608793112493, - 37.487938033928344 - ] - } - ], - "reactions": [], - "substances": [], - "tables": [ - { - "id": "1314-tab1", - "text": "", - "bbox": [ - 19.718798675248205, - 67.1200410971547, - 1264.8104310577553, - 565.5788912075272 - ], - "data": [ - { - "id": "1314-tab1-c1", - "text": "Mn_3O_4", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "2", - "maps": [], - "bbox": [ - 189.92257622104887, - 169.48940637773933, - 84.21167239765589, - 38.390615357754854 - ] - }, - { - "id": "1314-tab1-c2", - "text": "M in Mn_3O_4:M", - "start_row": "3", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 67.32028846563813, - 399.83309852426856, - 156.03927532506822, - 50.77468482799844 - ] - }, - { - "id": "1314-tab1-c3", - "text": "Sr (0.05)\\refmark{[a]}", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 300.06933933969293, - 230.9488003053227, - 120.49249707091366, - 48.70973285845449 - ] - }, - { - "id": "1314-tab1-c4", - "text": "Sr", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 339.3789483131825, - 301.8770078009669, - 43.58239255756456, - 38.45505225667455 - ] - }, - { - "id": "1314-tab1-c5", - "text": "Ca", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 336.8152781627375, - 378.78711231431606, - 46.14606270800954, - 29.90948508852466 - ] - }, - { - "id": "1314-tab1-c6", - "text": "Mg", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 338.52439159636754, - 447.1516496595153, - 36.74593882304458, - 31.618598522154684 - ] - }, - { - "id": "1314-tab1-c7", - "text": "Zn", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 340.2335050299975, - 507.8251765533796, - 40.16416569030457, - 36.74593882304464 - ] - }, - { - "id": "1314-tab1-c8", - "text": "Cu", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 341.94261846362747, - 578.7533840490238, - 39.30960897348956, - 30.76404180533973 - ] - }, - { - "id": "1314-tab1-c9", - "text": "Atomic composition (M_xMn_{3-x}O_4)", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 520.5449722779605, - 81.40137486269937, - 207.6572821860426, - 56.40074330978938 - ] - }, - { - "id": "1314-tab1-c10", - "text": "---", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 603.4369738090145, - 177.9662838627933, - 43.5823925575645, - 26.4912582212647 - ] - }, - { - "id": "1314-tab1-c11", - "text": "Sr_{0.15}Mn_{2.85}O_4", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 554.72724095056, - 240.3489241902876, - 145.27464185854842, - 35.8913821062296 - ] - }, - { - "id": "1314-tab1-c12", - "text": "Sr_{0.06}Mn_{2.94}O_4", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 559.85458125145, - 305.2952346682269, - 136.72907469039853, - 35.89138210622957 - ] - }, - { - "id": "1314-tab1-c13", - "text": "Ca_{0.08}Mn_{2.92}O_4", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 549.5999006496701, - 375.3688854470561, - 151.25653887625333, - 35.89138210622963 - ] - }, - { - "id": "1314-tab1-c14", - "text": "Mg_{0.07}Mn_{2.93}O_4", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 547.8907872160402, - 443.73342279225534, - 158.94754932758815, - 37.60049553985954 - ] - }, - { - "id": "1314-tab1-c15", - "text": "Zn_{0.08}Mn_{2.92}O_4", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 553.8726842337451, - 509.5342899870096, - 150.40198215943826, - 41.87327912393454 - ] - }, - { - "id": "1314-tab1-c16", - "text": "Cu_{0.03}Mn_{2.97}O_4", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 550.4544573664851, - 581.3170541994688, - 151.25653887625322, - 33.327711955784594 - ] - }, - { - "id": "1314-tab1-c17", - "text": "M/(M+Mn) (at.%)", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 875.1860097561815, - 74.56492112817945, - 115.36515677002365, - 64.94631047793926 - ] - }, - { - "id": "1314-tab1-c18", - "text": "---", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 917.059288880116, - 174.54805699553333, - 38.45505225667455, - 25.636701504449718 - ] - }, - { - "id": "1314-tab1-c19", - "text": "5.0", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 907.6591649951512, - 237.7852540398426, - 52.12795972571439, - 38.45505225667458 - ] - }, - { - "id": "1314-tab1-c20", - "text": "2.0", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 906.8046082783361, - 308.71346153548683, - 47.00061942482455, - 31.618598522154628 - ] - }, - { - "id": "1314-tab1-c21", - "text": "2.7", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 912.786505296041, - 372.8052152966111, - 41.01872240711964, - 35.89138210622963 - ] - }, - { - "id": "1314-tab1-c22", - "text": "2.3", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 911.0773918624111, - 445.4425362258853, - 48.70973285845446, - 35.036825389414616 - ] - }, - { - "id": "1314-tab1-c23", - "text": "2.7", - "start_row": "7", - "end_row": "7", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 916.2047321633011, - 510.3888467038246, - 33.327711955784594, - 29.90948508852466 - ] - }, - { - "id": "1314-tab1-c24", - "text": "1.0", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 916.2047321633011, - 578.7533840490238, - 41.018722407119526, - 42.72783584074955 - ] - }, - { - "id": "1314-tab1-c25", - "text": "\\overline{\\textit{d}} (nm)", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1125.5711277829737, - 78.83770471225439, - 82.03744481423905, - 49.564289575269456 - ] - }, - { - "id": "1314-tab1-c26", - "text": "3.7", - "start_row": "2", - "end_row": "2", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1148.6441591369785, - 166.85704654419843, - 42.72783584074955, - 37.600495539859565 - ] - }, - { - "id": "1314-tab1-c27", - "text": "3.9", - "start_row": "3", - "end_row": "3", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1148.6441591369785, - 237.7852540398426, - 40.16416569030457, - 34.18226867259963 - ] - }, - { - "id": "1314-tab1-c28", - "text": "4.5", - "start_row": "4", - "end_row": "4", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1142.6622621192735, - 304.4406779514119, - 50.41884629208448, - 36.74593882304458 - ] - }, - { - "id": "1314-tab1-c29", - "text": "4.3", - "start_row": "5", - "end_row": "5", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1141.8077054024584, - 370.2415451461661, - 51.27340300889955, - 36.74593882304464 - ] - }, - { - "id": "1314-tab1-c30", - "text": "4.1", - "start_row": "6", - "end_row": "6", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1144.3713755529034, - 443.73342279225534, - 50.41884629208448, - 37.60049553985954 - ] - }, - { - "id": "1314-tab1-c31", - "text": "3.4", - "start_row": "7", - "end_row": "7", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1152.0623860042383, - 511.2434034206396, - 43.58239255756462, - 36.74593882304458 - ] - }, - { - "id": "1314-tab1-c32", - "text": "4.9", - "start_row": "8", - "end_row": "8", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 1146.9350457033484, - 578.7533840490238, - 43.58239255756462, - 31.618598522154684 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1315.json b/ChemTable/josn/1315.json deleted file mode 100644 index 31870cfce38474011b86a741d67b04387cd81e7a..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1315.json +++ /dev/null @@ -1,695 +0,0 @@ -{ - "id": "1315", - "source": "https://doi.org/10.1021/acs.joc.4c02520", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Screening of Conditions for the Pd-Catalyzed Arylation of \\refiden{11a}", - "bbox": [ - 10.15992546081543, - 1.265907645225525, - 578.9817981719971, - 56.694854378700256 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Conversion was determined by TLC and ^1H NMR spectroscopy of the reaction solution. \\mark{b}Starting material \\textbf{\\refiden{11}} detected in ^1H NMR spectrum. \\mark{c}dec: decomposition; no signals of \\textbf{\\refiden{12af}} or \\textbf{\\refiden{11a}} visible in ^1H NMR spectrum. \\mark{d}Signals for \\textbf{\\refiden{11a}} with MOM-ether cleavage observed in ^1H NMR spectrum. \\mark{e}DMA: \\textit{N,N}-dimethylacetamide.", - "bbox": [ - 10.159925317726097, - 731.4321919428861, - 621.1718455303967, - 133.10825261365642 - ] - } - ], - "reactions": [ - { - "id": "1315-rea1", - "reactants": [ - { - "id": "1315-rea1-rea-sub1", - "text": "\\iden{7f} (1.2 equiv.)", - "maps": [ - { - "identifier": "7f", - "smiles": "[#smiles#][N+](#N)C1C=CC(=CC=1)OC.[B-](F)(F)(F)F[#smiles#]" - } - ], - "bbox": [ - 101.56872848650042, - 75.65779406297631, - 161.66197905430974, - 136.13640341415558 - ] - }, - { - "id": "1315-rea1-rea-sub2", - "text": "\\iden{11a}", - "maps": [ - { - "identifier": "11a", - "smiles": "[#smiles#]C12C=CC(=O)OC1=C(CC=C)C([Mo][Mo])=CC=2[#smiles#]" - } - ], - "bbox": [ - 341.4908142089844, - 66.29841613769531, - 188.90762329101562, - 133.8484649658203 - ] - } - ], - "conditions": [ - { - "id": "1315-rea1-con1", - "text": "Pd(OAc)_2 (5 mol-%)", - "maps": [], - "bbox": [ - 308.6957558208755, - 199.70685533869133, - 140.5923459865511, - 24.087499836856665 - ] - }, - { - "id": "1315-rea1-con2", - "text": "base (n equiv.)", - "maps": [], - "bbox": [ - 310.1705007088463, - 223.794355175548, - 103.72372378728073, - 18.18852028497338 - ] - }, - { - "id": "1315-rea1-con3", - "text": "solvent (0.1 M)", - "maps": [], - "bbox": [ - 309.6789190795227, - 241.49129383119777, - 104.21530541660434, - 17.696938655649774 - ] - }, - { - "id": "1315-rea1-con4", - "text": "20 ℃, 16 h", - "maps": [], - "bbox": [ - 307.7125925622283, - 258.69665085752393, - 82.58571372636567, - 15.239030509031807 - ] - } - ], - "products": [ - { - "id": "1315-rea1-pro-sub1", - "text": "\\iden{12af}", - "maps": [ - { - "identifier": "12af", - "smiles": "[#smiles#][Mo]([Mo])C1C=CC2C=CC(=O)OC=2C=1C/C=C/C1C=CC(OC)=CC=1[#smiles#]" - } - ], - "bbox": [ - 168.78607767223974, - 294.32689204696374, - 249.2997887521724, - 173.57391435304834 - ] - } - ], - "text": "", - "bbox": [ - 91.18233995212566, - 62.99727120908969, - 449.48149070988336, - 409.93483594785494 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1315-tab1", - "text": "", - "bbox": [ - 17.044758468384938, - 474.80764064787513, - 611.4519985914512, - 254.03972538164157 - ], - "data": [ - { - "id": "1315-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.851210038369512, - 483.5008922962514, - 45.77668609552859, - 22.439552007612065 - ] - }, - { - "id": "1315-tab1-c2", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 30.929448761109853, - 512.6723099061471, - 24.683507208373264, - 23.337134087916525 - ] - }, - { - "id": "1315-tab1-c3", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 34.519777082327785, - 540.0485633554338, - 20.644387847003088, - 22.88834304776435 - ] - }, - { - "id": "1315-tab1-c4", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 33.6221950020233, - 568.322398885025, - 19.29801472654637, - 23.78592512806881 - ] - }, - { - "id": "1315-tab1-c5", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 33.17340396187106, - 596.1474433744639, - 20.644387847003088, - 24.234716168220984 - ] - }, - { - "id": "1315-tab1-c6", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 34.519777082327785, - 623.0749057835984, - 20.644387847003088, - 21.990760967459778 - ] - }, - { - "id": "1315-tab1-c7", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 38.558896443697954, - 649.5535771525806, - 15.258895365176194, - 24.68350720837327 - ] - }, - { - "id": "1315-tab1-c8", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 34.07098604217554, - 677.8274126821718, - 17.951641606089645, - 20.64438784700303 - ] - }, - { - "id": "1315-tab1-c9", - "text": "8", - "start_row": "9", - "end_row": "9", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 35.417359162632266, - 705.2036661314585, - 18.849223686394126, - 20.644387847003145 - ] - }, - { - "id": "1315-tab1-c10", - "text": "solvent", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 101.83843310516396, - 480.80814605533794, - 65.97228290237943, - 22.888343047764295 - ] - }, - { - "id": "1315-tab1-c11", - "text": "methanol", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 89.27228398090121, - 513.1211009462993, - 78.98722306679444, - 22.439552007612065 - ] - }, - { - "id": "1315-tab1-c12", - "text": "methanol", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 86.13074669983551, - 540.0485633554338, - 82.57755138801237, - 23.78592512806881 - ] - }, - { - "id": "1315-tab1-c13", - "text": "acetonitrile", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 87.92591086044447, - 568.322398885025, - 92.00216323120944, - 22.888343047764238 - ] - }, - { - "id": "1315-tab1-c14", - "text": "acetonitrile", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 87.47711982029223, - 595.6986523343116, - 93.7973273918184, - 21.093178887155318 - ] - }, - { - "id": "1315-tab1-c15", - "text": "THF", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 88.82349294074896, - 621.2797416229894, - 44.8791040152241, - 21.99076096745989 - ] - }, - { - "id": "1315-tab1-c16", - "text": "THF", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 88.82349294074896, - 650.0023681927329, - 45.32789505537636, - 22.888343047764238 - ] - }, - { - "id": "1315-tab1-c17", - "text": "DMA\\color{blue}{\\refmark{e}}", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 87.02832878014, - 676.9298306018674, - 59.240417300095814, - 22.439552007612065 - ] - }, - { - "id": "1315-tab1-c18", - "text": "DMA\\color{blue}{\\refmark{e}}", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 85.23316461953102, - 702.0621288503928, - 61.48437250085705, - 23.337134087916525 - ] - }, - { - "id": "1315-tab1-c19", - "text": "Base (\\textit{n} equiv)", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 200.12367089850477, - 479.9105639750335, - 121.17358084110509, - 26.927462409134478 - ] - }, - { - "id": "1315-tab1-c20", - "text": "NaOAc (3.0)", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 205.0603723401794, - 512.2235188659948, - 111.3001779577558, - 25.132298248525558 - ] - }, - { - "id": "1315-tab1-c21", - "text": "-", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 205.9579544204839, - 542.7413095963473, - 24.234716168221013, - 17.502850565937365 - ] - }, - { - "id": "1315-tab1-c22", - "text": "NaOAc (3.0)", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 205.9579544204839, - 565.1808616039593, - 111.74896899790807, - 27.825044489438937 - ] - }, - { - "id": "1315-tab1-c23", - "text": "-", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 205.50916338033164, - 600.6353537759863, - 25.13229824852553, - 15.258895365176159 - ] - }, - { - "id": "1315-tab1-c24", - "text": "NaOAc (3.0)", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 203.7139992197227, - 620.3821595426849, - 113.09534211836475, - 24.68350720837327 - ] - }, - { - "id": "1315-tab1-c25", - "text": "-", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 201.91883505911372, - 655.3878606745598, - 31.41537281065689, - 16.605268485632905 - ] - }, - { - "id": "1315-tab1-c26", - "text": "NaOAc (3.0)", - "start_row": "8", - "end_row": "8", - "start_col": "3", - 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"id": "1317", - "source": "https://doi.org/10.1021/acs.orglett.0c01269", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "HCS Model Reaction Screening", - "bbox": [ - 8.015080984827806, - 0.7287779355475945, - 430.33194051542876, - 33.224157172147066 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Conversion monitored at HPLC-UV at 210 nm. 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"bbox": [ - 4.822477911075028, - 2.805303865936418, - 715.6519328359108, - 107.76629982762985 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Reaction conditions: \\textbf{\\refiden{1a}} (50 μmol), DDQ (Protocol A: 7S μmol, Protocol B: 12.5 μmol), TBN (Protocol B: 12.5 μmol), CH_2Cl_2 (5 mL), H_2O (50 μL), 525 nm irradiation at rt. \\mark{b}Determined by ^1H NMR using maleic acid as the internal standard. \\mark{c}Not detected.", - "bbox": [ - 3.4498165102248666, - 718.5609756060876, - 740.2082033794929, - 137.64599880789012 - ] - } - ], - "reactions": [ - { - "id": "1318-rea1", - "reactants": [ - { - "id": "1318-rea1-rea-sub1", - "text": "0.05 mmol, 10mM \\textit{\\iden{1a}}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]O(C(C)=O)CC1[C@H]([C@@H]([C@H]([C@H](OC(C)=O)O1)OC(C)=O)OCC1C=CC=CC=1)OC(C)=O[#smiles#]" - } - ], - "bbox": [ - 10.633237253481466, - 110.77466827379034, - 174.8917179794595, - 116.09833193530078 - ] - } - ], - "conditions": [ - { - "id": "1318-rea1-con1", - 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257.6209350040976, - 69.37899648597269, - 43.12748430209109 - ] - }, - { - "id": "1318-tab1-c4", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 234.27558574943419, - 325.58851718937274, - 28.662852543403346, - 31.797852040338057 - ] - }, - { - "id": "1318-tab1-c5", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 233.82772867844352, - 367.2392247915057, - 30.454280827366063, - 29.558566685384676 - ] - }, - { - "id": "1318-tab1-c6", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 233.82772867844352, - 408.8899323936387, - 25.52785304646858, - 33.14142325331011 - ] - }, - { - "id": "1318-tab1-c7", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 237.41058524636892, - 455.9149248476598, - 24.632138904487277, - 33.58928032430072 - ] - }, - { - "id": "1318-tab1-c8", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 238.30629938835028, - 494.430632952858, - 21.944996478543203, - 33.58928032430083 - ] - }, - { - "id": "1318-tab1-c9", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 237.41058524636892, - 537.424911767963, - 22.84071062052456, - 33.14142325331011 - ] - }, - { - "id": "1318-tab1-c10", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 233.82772867844352, - 582.2106188670307, - 25.52785304646858, - 29.558566685384676 - ] - }, - { - "id": "1318-tab1-c11", - "text": "8", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 236.51487110438757, - 622.0698981852009, - 29.558566685384676, - 36.72427982123554 - ] - }, - { - "id": "1318-tab1-c12", - "text": "9", - "start_row": "10", - "end_row": "10", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 235.6191569624062, - 667.7513194262501, - 29.11070961439404, - 33.58928032430072 - ] - }, - { - "id": "1318-tab1-c13", - "text": "variation", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 297.87128983011036, - 262.4406701796872, - 98.528555617949, - 25.52785304646858 - ] - }, - { - "id": "1318-tab1-c14", - "text": "none", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 312.6505731728027, - 325.5885171893727, - 67.1785606486016, - 27.76713840142196 - ] - }, - { - "id": "1318-tab1-c15", - "text": "440 nm", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 299.6627181140731, - 366.791367720515, - 89.57141419813541, - 30.454280827366063 - ] - }, - { - "id": "1318-tab1-c16", - "text": "no light", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 305.93271710794255, - 410.6813606776014, - 85.09284348822865, - 30.902137898356727 - ] - }, - { - "id": "1318-tab1-c17", - "text": "none", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 314.4420014567654, - 459.49778141558517, - 62.25213286770412, - 26.423567188449965 - ] - }, - { - "id": "1318-tab1-c18", - "text": "440 nm", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 302.7977176110078, - 500.70063194672747, - 84.64498641723804, - 25.07999597547797 - ] - }, - { - "id": "1318-tab1-c19", - "text": "no light", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 303.69343175298917, - 539.6641971229163, - 86.88427177219137, - 34.48499446628216 - ] - }, - { - "id": "1318-tab1-c20", - "text": "no DDQ", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 298.357366097023, - 581.7210031994949, - 98.9837088124699, - 34.644298084364436 - ] - }, - { - "id": "1318-tab1-c21", - "text": "no TBN", - "start_row": "9", - "end_row": "9", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 301.1412829073737, - 626.8823203451843, - 89.08533793122291, - 25.673899473234314 - ] - }, - { - "id": "1318-tab1-c22", - "text": "degassed", - "start_row": "10", - "end_row": "10", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 298.9760142771009, - 667.7131002303281, - 98.05573654235297, - 34.644298084364436 - ] - }, - { - "id": "1318-tab1-c23", - "text": "time", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 424.7235552581738, - 260.5181053064631, - 63.47709892555292, - 31.543834435397514 - ] - }, - { - "id": "1318-tab1-c24", - "text": "30 min", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 423.9446951486578, - 322.82691406774205, - 72.04456013022883, - 31.154404380639505 - ] - }, - { - "id": "1318-tab1-c25", - "text": "10 min", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 419.27153449156185, - 368.7796605291853, - 79.0543011158727, - 29.596684161607527 - ] - }, - { - "id": "1318-tab1-c26", - "text": "24 h", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 422.386962890625, - 410.44866943359375, - 65.81369018554688, - 28.038970947265625 - ] - }, - { - "id": "1318-tab1-c27", - "text": "2 h", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 436.4064569009136, - 456.7908529044918, - 45.173886351927194, - 28.817824052091567 - ] - }, - { - "id": "1318-tab1-c28", - "text": "30 min", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 418.8821044368039, - 496.9021485445652, - 74.38114045877671, - 29.986114216365536 - ] - }, - { - "id": "1318-tab1-c29", - "text": "2 h", - "start_row": "7", - "end_row": "7", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 437.18531701042957, - 537.4028742393965, - 44.00559618765328, - 35.04870492821942 - ] - }, - { - "id": "1318-tab1-c30", - "text": "2 h", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 439.9113273937355, - 582.5767605913237, - 34.65927487346141, - 31.154404380639562 - ] - }, - { - "id": "1318-tab1-c31", - "text": "2 h", - "start_row": "9", - "end_row": "9", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 439.5218973389775, - 628.140076998009, - 38.943005475799396, - 29.596684161607527 - ] - }, - { - "id": "1318-tab1-c32", - "text": "2 h", - "start_row": "10", - "end_row": "10", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 434.84873668188163, - 667.4725125285663, - 49.06818689950717, - 29.986114216365536 - ] - }, - { - "id": "1318-tab1-c33", - "text": "\\textbf{\\refiden{1a}} [%]\\refmark{b}", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 505.33557659307843, - 243.7726129518694, - 61.919378706520945, - 68.92911969216482 - ] - }, - { - "id": "1318-tab1-c34", - "text": "n.d.\\refmark{c}", - "start_row": "2", - "end_row": "2", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 513.5136077429963, - 323.9952042320161, - 51.794197282813116, - 29.98611421636548 - ] - }, - { - "id": "1318-tab1-c35", - "text": "n.d.", - "start_row": "3", - "end_row": "3", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 513.5136077429963, - 367.22194031015334, - 47.51046668047513, - 29.20725410684952 - ] - }, - { - "id": "1318-tab1-c36", - "text": "99", - "start_row": "4", - "end_row": "4", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 523.6387891667041, - 406.5543758407107, - 35.43813498297743, - 30.764974325881496 - ] - }, - { - "id": "1318-tab1-c37", - "text": "n.d.", - "start_row": "5", - "end_row": "5", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 518.1867684000922, - 454.8437026307019, - 43.61616613289527, - 26.87067377830158 - ] - }, - { - "id": "1318-tab1-c38", - "text": "n.d.", - "start_row": "6", - "end_row": "6", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 511.95588752396435, - 497.68100865408115, - 50.23647706378114, - 27.26010383305953 - ] - }, - { - "id": "1318-tab1-c39", - "text": "98", - "start_row": "7", - "end_row": "7", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 518.1867684000922, - 540.9077447322185, - 38.943005475799396, - 28.4283939973335 - ] - }, - { - "id": "1318-tab1-c40", - "text": "100", - "start_row": "8", - "end_row": "8", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 515.8501880715443, - 580.6296103175338, - 45.5633164066852, - 33.10155465442949 - ] - }, - { - "id": "1318-tab1-c41", - "text": "77", - "start_row": "9", - "end_row": "9", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 519.7444886191242, - 627.361216888493, - 36.216995092493335, - 25.702383614027553 - ] - }, - { - "id": "1318-tab1-c42", - "text": "57", - "start_row": "10", - "end_row": "10", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 519.3550585643662, - 665.9147923095344, - 40.11129564007331, - 32.71212459967148 - ] - }, - { - "id": "1318-tab1-c43", - "text": "\\textbf{\\refiden{1b}} [%]\\refmark{b}", - "start_row": "1", - "end_row": "1", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 575.8224165042752, - 241.43603262332144, - 54.52020766611918, - 72.82342023974476 - ] - }, - { - "id": "1318-tab1-c44", - "text": "96", - "start_row": "2", - "end_row": "2", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 584.7793077637091, - 327.11064467008003, - 36.21699509249345, - 26.870673778301523 - ] - }, - { - "id": "1318-tab1-c45", - "text": "78", - "start_row": "3", - "end_row": "3", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 583.6110175994352, - 366.0536501458794, - 37.38528525676736, - 29.98611421636548 - ] - }, - { - "id": "1318-tab1-c46", - "text": "n.d.", - "start_row": "4", - "end_row": "4", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 577.7695667780653, - 408.11209605974267, - 46.34217651620122, - 29.98611421636548 - ] - }, - { - "id": "1318-tab1-c47", - "text": "97", - "start_row": "5", - "end_row": "5", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 582.8321574899192, - 453.67541246642793, - 40.11129564007331, - 29.98611421636548 - ] - }, - { - "id": "1318-tab1-c48", - "text": "87", - "start_row": "6", - "end_row": "6", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 586.7264580374991, - 496.5127184898072, - 36.60642514725134, - 31.15440438063945 - ] - }, - { - "id": "1318-tab1-c49", - "text": "<2", - "start_row": "7", - "end_row": "7", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 585.1687378184671, - 540.1288846227025, - 36.99585520200935, - 27.649533887817597 - ] - }, - { - "id": "1318-tab1-c50", - "text": "n.d.", - "start_row": "8", - "end_row": "8", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 580.8850072161292, - 581.4084704270498, - 44.39502624241118, - 28.4283939973335 - ] - }, - { - "id": "1318-tab1-c51", - "text": "23", - "start_row": "9", - "end_row": "9", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 584.3898777089511, - 623.466916340913, - 37.385285256767474, - 33.4909847091875 - ] - }, - { - "id": "1318-tab1-c52", - "text": "40", - "start_row": "10", - "end_row": "10", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 585.1687378184671, - 668.2513726380823, - 34.269844818703405, - 29.986114216365536 - ] - }, - { - "id": "1318-tab1-c53", - "text": "\\textbf{\\refiden{1c}} [%]\\refmark{b}", - "start_row": "1", - "end_row": "1", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 639.6889454845862, - 241.82546267807942, - 52.57305739232913, - 71.65513007547082 - ] - }, - { - "id": "1318-tab1-c54", - "text": "<2", - "start_row": "2", - "end_row": "2", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 647.4775465797461, - 327.889504779596, - 40.11129564007331, - 23.755233340237623 - ] - }, - { - "id": "1318-tab1-c55", - "text": "16", - "start_row": "3", - "end_row": "3", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 649.424696853536, - 366.0536501458794, - 38.943005475799396, - 31.543834435397457 - ] - }, - { - "id": "1318-tab1-c56", - "text": "n.d.", - "start_row": "4", - "end_row": "4", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 643.9726760869241, - 409.66981627877465, - 42.05844591386335, - 29.20725410684952 - ] - }, - { - "id": "1318-tab1-c57", - "text": "<2", - "start_row": "5", - "end_row": "5", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 646.6986864702301, - 454.4542725759439, - 38.55357542104139, - 31.543834435397457 - ] - }, - { - "id": "1318-tab1-c58", - "text": "11", - "start_row": "6", - "end_row": "6", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 650.5929870178101, - 498.07043870883916, - 34.65927487346141, - 25.70238361402761 - ] - }, - { - "id": "1318-tab1-c59", - "text": "n.d.", - "start_row": "7", - "end_row": "7", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 641.6360957583762, - 538.1817343489125, - 44.784456297169186, - 31.933264490155466 - ] - }, - { - "id": "1318-tab1-c60", - "text": "n.d.", - "start_row": "8", - "end_row": "8", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 644.3621061416821, - 581.4084704270498, - 45.95274646144321, - 28.4283939973335 - ] - }, - { - "id": "1318-tab1-c61", - "text": "n.d.", - "start_row": "9", - "end_row": "9", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 644.3621061416821, - 627.361216888493, - 45.5633164066852, - 29.986114216365536 - ] - }, - { - "id": "1318-tab1-c62", - "text": "<2", - "start_row": "10", - "end_row": "10", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 645.5303963059561, - 669.8090928571144, - 45.56331640668532, - 31.933264490155466 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1319.json b/ChemTable/josn/1319.json deleted file mode 100644 index ee07fadb1abb4a42b5f67bd1184d90c39880ade2..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1319.json +++ /dev/null @@ -1,1077 +0,0 @@ -{ - "id": "1319", - "source": "https://doi.org/10.1021/acs.orglett.4c03519", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Optimization of the Reaction Conditions\\color{blue}{\\refmark{a}}", - "bbox": [ - 7.620209891199926, - 6.12875650314912, - 535.1722119588079, - 32.99006786047446 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}The reaction was conducted using \\textbf{\\refiden{1a}} (0.2 mmol), \\textbf{\\refiden{2a}} (x mmol), catalyst (2 mol %), ligand (6 mol %), base (2.0 equiv), CO(10 bar), 80 ℃, 15 h. \\mark{b}Determined by GC with hexadecane as internal standard. \\mark{c}Isolated yield is shown in parentheses.", - "bbox": [ - 8.536600665102021, - 721.8299509206645, - 613.0654277404838, - 106.30132977263986 - ] - } - ], - "reactions": [ - { - "id": "1319-rea1", - "reactants": [ - { - "id": "1319-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]C(CCC)CC#C[#smiles#]" - } - ], - "bbox": [ - 13.759808153664265, - 68.94132027860839, - 88.12424372003296, - 85.69323010016997 - ] - }, - { - "id": "1319-rea1-rea-sub2", - "text": "\\color{red}{CO} (10 bar)", - "maps": [], - "bbox": [ - 103.70731208859446, - 79.88088156799178, - 61.99084730650593, - 54.090053041951265 - ] - }, - { - "id": "1319-rea1-rea-sub3", - "text": "\\iden{2a}", - "maps": [ - { - "identifier": "2a", - "smiles": "[#smiles#]C1=C(C)C=CC([S+]2C3=CC=CC=C3SC3=C2C=CC=C3)=C1.[O-]S(C(F)(F)F)(=O)=O[#smiles#]" - } - ], - "bbox": [ - 165.09040599013466, - 64.07929303888243, - 105.14133905907383, - 92.37851755479316 - ] - } - ], - "conditions": [ - { - "id": "1319-rea1-con1", - "text": "PdI_2 (21 mol%)", - "maps": [], - "bbox": [ - 293.92974853515625, - 52.516109466552734, - 110.83383178710938, - 17.961223602294922 - ] - }, - { - "id": "1319-rea1-con2", - "text": "PPh_3 (6 mol%)", - "maps": [], - "bbox": [ - 296.5582275390625, - 70.9154052734375, - 109.51962280273438, - 19.27545928955078 - ] - }, - { - "id": "1319-rea1-con3", - "text": "DIPEA (2.0 eq.)", - "maps": [], - "bbox": [ - 295.24395751953125, - 95.8858871459961, - 112.586181640625, - 23.656234741210938 - ] - }, - { - "id": "1319-rea1-con4", - "text": "DMF (0.1 M)", - "maps": [], - "bbox": [ - 303.12938369732365, - 118.66596930977524, - 94.6249581240445, - 16.646983373674473 - ] - }, - { - "id": "1319-rea1-con5", - "text": "80 ℃, 15 h", - "maps": [], - "bbox": [ - 307.92588772211593, - 134.8748779296875, - 87.54861450195312, - 18.971511840820312 - ] - } - ], - "products": [ - { - "id": "1319-rea1-pro-sub1", - "text": "\\iden{3a}", - "maps": [ - { - "identifier": "3a", - "smiles": "[#smiles#]O=C(C#CCCCCC)C1C=CC(C)=CC=1[#smiles#]" - } - ], - "bbox": [ - 430.0708905551993, - 51.31647153460178, - 182.32602148972342, - 103.92583224914233 - ] - } - ], - "text": "", - "bbox": [ - 9.452991439004089, - 46.44995055484007, - 610.3162554187775, - 111.79967441605233 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1319-tab1", - "text": "", - "bbox": [ - 17.33111542550501, - 163.17070441500056, - 592.6802218114592, - 555.6377079482431 - ], - "data": [ - { - "id": "1319-tab1-c1", - "text": "Entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 27.19862514850248, - 169.29283655342175, - 60.16411630867223, - 25.230113290733527 - ] - }, - { - "id": "1319-tab1-c2", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 42.7248487120308, - 204.71203405772073, - 21.833751886211694, - 20.378168427130902 - ] - }, - { - "id": "1319-tab1-c3", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 46.606404602912875, - 229.94214734845423, - 16.981807022609097, - 24.74491880437327 - ] - }, - { - "id": "1319-tab1-c4", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 42.7248487120308, - 256.62784409826855, - 20.378168427130916, - 22.31894637257193 - ] - }, - { - "id": "1319-tab1-c5", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 41.75445973931028, - 285.25431879352385, - 25.230113290733513, - 21.348557399851472 - ] - }, - { - "id": "1319-tab1-c6", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 41.26926525295002, - 312.9104045160587, - 26.685696749814298, - 20.863362913491187 - ] - }, - { - "id": "1319-tab1-c7", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 40.78407076658976, - 341.53687921131404, - 25.23011329073352, - 19.892973940770617 - ] - }, - { - "id": "1319-tab1-c8", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 40.78407076658976, - 369.1929649338488, - 26.200502263454027, - 18.437390481689874 - ] - }, - { - "id": "1319-tab1-c9", - "text": "8", - "start_row": "9", - "end_row": "9", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 44.180432171111576, - 395.87866168366315, - 25.230113290733513, - 17.95219599532959 - ] - }, - { - "id": "1319-tab1-c10", - "text": "9", - "start_row": "10", - "end_row": "10", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 44.66562665747184, - 420.6235804880364, - 17.467001508969354, - 21.8337518862117 - ] - }, - { - "id": "1319-tab1-c11", - "text": "10", - "start_row": "11", - "end_row": "11", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 44.180432171111576, - 448.76486069693146, - 29.596863667975853, - 23.2893353452925 - ] - }, - { - "id": "1319-tab1-c12", - "text": "11", - "start_row": "12", - "end_row": "12", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 44.66562665747184, - 474.9653629603855, - 29.596863667975846, - 22.318946372571986 - ] - }, - { - "id": "1319-tab1-c13", - "text": "12", - "start_row": "13", - "end_row": "13", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 47.576793575633396, - 504.56222662836143, - 28.141280208895076, - 25.230113290733527 - ] - }, - { - "id": "1319-tab1-c14", - "text": "13", - "start_row": "14", - "end_row": "14", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 46.606404602912875, - 532.2183123508962, - 25.230113290733513, - 20.37816842713096 - ] - }, - { - "id": "1319-tab1-c15", - "text": "14", - "start_row": "15", - "end_row": "15", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 47.09159908927314, - 555.5076476961887, - 26.200502263454034, - 25.715307777093813 - ] - }, - { - "id": "1319-tab1-c16", - "text": "15", - "start_row": "16", - "end_row": "16", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 47.09159908927314, - 585.1045113641645, - 28.626474695255332, - 23.774529831652785 - ] - }, - { - "id": "1319-tab1-c17", - "text": "16", - "start_row": "17", - "end_row": "17", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 46.12121011655262, - 610.8198191412583, - 25.71530777709377, - 22.804140858932215 - ] - }, - { - "id": "1319-tab1-c18", - "text": "17", - "start_row": "18", - "end_row": "18", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 47.09159908927314, - 640.4166828092342, - 26.68569674981429, - 20.378168427130845 - ] - }, - { - "id": "1319-tab1-c19", - "text": "18", - "start_row": "19", - "end_row": "19", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 46.12121011655262, - 665.6467960999677, - 28.14128020889507, - 24.744918804373242 - ] - }, - { - "id": "1319-tab1-c20", - "text": "19", - "start_row": "20", - "end_row": "20", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 47.09159908927314, - 694.2732707952231, - 23.28933534529248, - 22.804140858932215 - ] - }, - { - "id": "1319-tab1-c21", - "text": "Variation from the Standard conditions", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 134.91180112048016, - 170.26322552614226, - 319.7431665114113, - 21.8337518862117 - ] - }, - { - "id": "1319-tab1-c22", - "text": "", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 154.8047750612508, - 202.28606162591942, - 53.371393499628596, - 22.318946372571958 - ] - }, - { - "id": "1319-tab1-c23", - "text": "No ligand", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 150.43802468400847, - 228.0013694030132, - 91.70175792208912, - 24.259724318012985 - ] - }, - { - "id": "1319-tab1-c24", - "text": "No catalyst", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 152.86399711580978, - 257.1130385846288, - 101.40564764929431, - 24.259724318013014 - ] - }, - { - "id": "1319-tab1-c25", - "text": "No base", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 149.46763571128795, - 284.7691243071636, - 78.11631230400184, - 21.348557399851416 - ] - }, - { - "id": "1319-tab1-c26", - "text": "DABCO instead DIPEA", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 155.83663358285733, - 309.38458392582163, - 198.65874167381097, - 22.302644595396657 - ] - }, - { - "id": "1319-tab1-c27", - "text": "Cs_2CO_3 instead of DIPEA", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 154.59759777200196, - 338.70843144939874, - 214.35319527797895, - 23.541680406252 - ] - }, - { - "id": "1319-tab1-c28", - "text": "K_3PO_4 instead of DIPEA", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 155.83663358285733, - 365.9672192882169, - 209.81006397150927, - 23.541680406252 - ] - }, - { - "id": "1319-tab1-c29", - "text": "Pd(OAc)_2 instead of PdI_2", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.0756693937127, - 393.22600712703496, - 207.74500428675032, - 25.606740091010977 - ] - }, - { - "id": "1319-tab1-c30", - "text": "PdBr_2 instead of PdI_2", - "start_row": "10", - "end_row": "10", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.4886813306645, - 421.3108188397567, - 175.1170612675589, - 24.780716217107397 - ] - }, - { - "id": "1319-tab1-c31", - "text": "(cinnamyl)_2Pd_2Cl_2 instead of PdI_2", - "start_row": "11", - "end_row": "11", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 159.55374101542344, - 447.74358280467123, - 270.52281870342233, - 24.367704280155635 - ] - }, - { - "id": "1319-tab1-c32", - "text": "PCy_3 instead of PPh_3", - "start_row": "12", - "end_row": "12", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 158.31470520456804, - 476.65441839129653, - 171.81296577194462, - 23.541680406252 - ] - }, - { - "id": "1319-tab1-c33", - "text": "BuPAd_2 instead of PPh_3", - "start_row": "13", - "end_row": "13", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.0756693937127, - 504.3262181670665, - 194.11561036734128, - 22.3026445953966 - ] - }, - { - "id": "1319-tab1-c34", - "text": "BINAP instead of PPh_3", - "start_row": "14", - "end_row": "14", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.90169326761628, - 531.9980179428364, - 187.9204313130644, - 21.88963265844484 - ] - }, - { - "id": "1319-tab1-c35", - "text": "DCE as solvent", - "start_row": "15", - "end_row": "15", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.90169326761628, - 558.430781907751, - 128.44671239200665, - 21.88963265844484 - ] - }, - { - "id": "1319-tab1-c36", - "text": "DMSO as solvent", - "start_row": "16", - "end_row": "16", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 155.83663358285733, - 585.6895697465691, - 146.61923761788543, - 21.063608784541316 - ] - }, - { - "id": "1319-tab1-c37", - "text": "CH_3CN as solvent", - "start_row": "17", - "end_row": "17", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.4886813306645, - 612.5353456484354, - 150.74935698740333, - 21.889632658444953 - ] - }, - { - "id": "1319-tab1-c38", - "text": "0.2 mol L^{-1} DMF", - "start_row": "18", - "end_row": "18", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 156.6626574567609, - 640.2071454242054, - 148.2712853656926, - 23.541680406252 - ] - }, - { - "id": "1319-tab1-c39", - "text": "1.0 equiv. \\textbf{\\refiden{2a}}", - "start_row": "19", - "end_row": "19", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.0756693937127, - 668.7049690738788, - 109.86117522917613, - 21.063608784541316 - ] - }, - { - "id": "1319-tab1-c40", - "text": "CuI (10 mol %) as additive", - "start_row": "20", - "end_row": "20", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 157.4886813306645, - 693.4856852909862, - 227.98258919738802, - 22.715656532348476 - ] - }, - { - "id": "1319-tab1-c41", - "text": "Yield (%)\\color{blue}{\\refmark{b}}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 501.11461287455364, - 165.24341792964697, - 96.64479324671885, - 28.910835586625268 - ] - }, - { - "id": "1319-tab1-c42", - "text": "78 (72)\\color{blue}{\\refmark{c}}", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 506.48376805492694, - 200.76244450750087, - 85.08045901206867, - 26.432763964914557 - ] - }, - { - "id": "1319-tab1-c43", - "text": "n.o.", - "start_row": "3", - "end_row": "3", - 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"data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Optimization of Pressure, Solvent, and Catalyst Loading Parameters\\color{blue}{\\refmark{a}}", - "bbox": [ - 4.432764397405446, - 20.00663846476291, - 605.4545454545456, - 61.818181818181834 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}The experiments were carried out at 0.17 M.\\mark{b}Determined by ^1H NMR analysis of the crude reaction mixtures.\\mark{c}Determined by HPLC analysis on a chiral stationary phase.\\mark{d}The starting material was synthesized via Route B(\\color{blue}{Scheme 3}b).", - "bbox": [ - 10.796401023864746, - 628.1884155273438, - 616.3636331558228, - 110.00003814697266 - ] - } - ], - "reactions": [ - { - "id": "1321-rea1", - "reactants": [ - { - "id": "1321-rea1-rea-sub1", - "text": "\\iden{3b}", - "maps": [ - { - "identifier": "3b", - "smiles": "[#smiles#]C(C)1C=CC(/C(=C/CN2C(C3C=CC=CC=3C2=O)=O)/C2C=CC=CC=2)=CC=1[#smiles#]" - } - ], - "bbox": [ - 11.536358833312988, - 91.76139831542969, - 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589.540323267994, - 94.75278491270964, - 39.49468085106389, - 38.29787234042553 - ] - }, - { - "id": "1324-tab1-c26", - "text": "phenylacetylene, \\textbf{\\refiden{2a}}", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 426.77436582118554, - 147.41235938079475, - 245.34574468085106, - 35.904255319148945 - ] - }, - { - "id": "1324-tab1-c27", - "text": "phenylacetylene, \\textbf{\\refiden{2a}}", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 435.1520253956536, - 188.10384874249687, - 228.5904255319149, - 37.10106382978725 - ] - }, - { - "id": "1324-tab1-c28", - "text": "phenylacetylene, \\textbf{\\refiden{2a}}", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 432.7584228515625, - 228.7953338623047, - 230.98402404785156, - 31.117019653320312 - ] - }, - { - "id": "1324-tab1-c29", - "text": "phenylacetylene, \\textbf{\\refiden{2a}}", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 431.5616149902344, - 264.6995849609375, - 233.37759399414062, - 33.51064682006836 - ] - }, - { - "id": "1324-tab1-c30", - "text": "phenylacetylene, \\textbf{\\refiden{2a}}", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 427.9711608886719, - 301.8006591796875, - 235.7712860107422, - 33.510650634765625 - ] - }, - { - "id": "1324-tab1-c31", - "text": "phenylacetylene, \\textbf{\\refiden{2a}}", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 430.36479135310043, - 344.8857636361139, - 239.3617021276596, - 31.11702127659578 - ] - }, - { - "id": "1324-tab1-c32", - "text": "2-methyl-3-butyn-2-ol, \\textbf{\\refiden{2h}}", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 432.7584228515625, - 380.7900085449219, - 299.20208740234375, - 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"start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 412.882147235586, - 622.4945676489307, - 243.22083948534055, - 29.455811010335424 - ] - }, - { - "id": "1325-tab1-c59", - "text": "DCM", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 700.7075005365773, - 624.1777568495213, - 57.228432820080116, - 26.931027209449553 - ] - }, - { - "id": "1325-tab1-c60", - "text": "-8℃-25℃", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 805.065230973194, - 623.336162249226, - 130.44716304577082, - 31.98059481122118 - ] - }, - { - "id": "1325-tab1-c61", - "text": "20 h", - "start_row": "8", - "end_row": "8", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 948.9779076236896, - 623.336162249226, - 51.33727061801312, - 28.614216410040058 - ] - }, - { - "id": "1325-tab1-c62", - "text": "N.D.", - "start_row": "8", - "end_row": "8", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 1038.186935254991, - 619.1281892477496, - 56.38683821978475, - 33.6637840118118 - ] - }, - { - "id": "1325-tab1-c63", - "text": "-", - "start_row": "8", - "end_row": "8", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 1158.5349630972185, - 627.5441352507025, - 43.762919215355396, - 18.51508120649646 - ] - }, - { - "id": "1325-tab1-c64", - "text": "-", - "start_row": "8", - "end_row": "8", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 1271.308639536788, - 628.3857298509978, - 49.6540814174225, - 17.67348660620121 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1326.json b/ChemTable/josn/1326.json deleted file mode 100644 index 03795c480115a5acbe8b819f5e65d7518ee70d91..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1326.json +++ /dev/null @@ -1,752 +0,0 @@ -{ - "id": "1326", - "source": "https://doi.org/10.1021/acs.joc.4c02520", - "data": { - "title": [ - { - "type": "Table", - "index": "3", - "text": "Optimization of Allylic Oxidation Conditions", - "bbox": [ - 13, - 7.5, - 402.6937255859375, - 22.643739700317383 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Method and conditions adapted from this reference. \\mark{b} Conversion <5%(TLC), unreacted starting material recovered. \\mark{c} Conversion <20%(^1H NMR-spectroscopy). \\mark{d}Isolated along with ca. 20% of \\textbf{\\refiden{14af}}.", - "bbox": [ - 11.163458824157715, - 784.1787109375, - 442.3475275039673, - 61.52069091796875 - ] - } - ], - "reactions": [ - { - "id": "1326-rea1", - "reactants": [ - { - "id": "1326-rea1-rea-sub1", - "text": "\\iden{12af}", - "maps": [ - { - "identifier": "12af", - "smiles": "[#smiles#][Mo]([Mo])C1C=CC2C=CC(=O)OC=2C=1C/C=C/C1C=CC(OC)=CC=1[#smiles#]" - } - ], - "bbox": [ - 38.47842513051673, - 36.5302005438073, - 174.28124999999983, - 126.40178571428558 - ] - } - ], - "conditions": [ - { - "id": "1326-rea1-con1", - "text": "See table for conditions", - "maps": [], - "bbox": [ - 217.22842513051657, - 67.81145054380725, - 74.69196428571419, - 34.47321428571425 - ] - } - ], - "products": [ - { - "id": "1326-rea1-pro-sub1", - "text": "\\iden{13af}", - "maps": [ - { - "identifier": "13af", - "smiles": "[#smiles#][Mo]([Mo])C1C(/C=C/C(C2C=CC(OC)=CC=2)=O)=C2C(C=CC(O2)=O)=CC=1[#smiles#]" - } - ], - "bbox": [ - 50.60789108276367, - 166.76234436035156, - 171.08928298950195, - 129.59375 - ] - }, - { - "id": "1326-rea1-pro-sub2", - "text": "\\iden{14af}", - "maps": [ - { - "identifier": "14af", - "smiles": "[#smiles#]OC1C=CC2C=CC(=O)OC=2C=1/C=C/C(=O)C1C=CC(OC)=CC=1[#smiles#]" - } - ], - "bbox": [ - 249.14806798765937, - 163.5703791152357, - 167.89732142857127, - 132.78571428571416 - ] - } - ], - "text": "", - "bbox": [ - 32.5224723815918, - 35.067440032958984, - 385.89311599731445, - 264.460636138916 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1326-tab1", - "text": "", - "bbox": [ - 12.987442970275879, - 297.5483093261719, - 440.863356590271, - 486.0260925292969 - ], - "data": [ - { - "id": "1326-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 14.762896292034188, - 316.80643146956197, - 38.45449172576829, - 20.706264775413672 - ] - }, - { - "id": "1326-tab1-c2", - "text": "Conditions\\color{blue}{\\refmark{a}}", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 177.0323998381334, - 316.80643146956197, - 79.02186761229305, - 21.97399527186758 - ] - }, - { - "id": "1326-tab1-c3", - "text": "Yield of \\textbf{\\refiden{13af}}(%)", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 386.6305236816406, - 303.70654296875, - 60.428466796875, - 34.65130615234375 - ] - }, - { - "id": "1326-tab1-c4", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.369279270757588, - 341.31588773433737, - 14.367612293144198, - 17.748226950354592 - ] - }, - { - "id": "1326-tab1-c5", - "text": "[RuPPh_3)_2Cl_2](5 mol%);\\textit{tert}-BuOOH(4 equiv), benzene, 40℃, 3 h^{\\color{blue}{51}}", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 57.020579507164186, - 340.89331090218604, - 296.64893617021255, - 32.538416075650105 - ] - }, - { - "id": "1326-tab1-c6", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 400.99810791015625, - 338.35784912109375, - 28.7352294921875, - 24.086883544921875 - ] - }, - { - "id": "1326-tab1-c7", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 19.83381827784979, - 375.96718797074396, - 17.325650118203296, - 17.325650118203328 - ] - }, - { - "id": "1326-tab1-c8", - "text": "\\textbf{\\refiden{A}}(5 mol%); \\textit{tert}-BuOOH(4 equiv), benzene, 40℃, 3 h^{\\color{blue}{52}}", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 55.33027267456055, - 375.54461669921875, - 316.0874824523926, - 32.1158447265625 - ] - }, - { - "id": "1326-tab1-c9", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 398.46265988541455, - 371.741419649231, - 30.42553191489361, - 22.819148936170166 - ] - }, - { - "id": "1326-tab1-c10", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 20.25639511000109, - 407.6604503820915, - 21.128841607564997, - 20.283687943262407 - ] - }, - { - "id": "1326-tab1-c11", - "text": "[RuPPh_3)_2Cl_2](5 mol%); \\textit{tert}-BuOOH(8 equiv), benzene, 40℃, 16 h^{\\color{blue}{51}}", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 57.865733171466786, - 407.6604503820915, - 299.18439716312037, - 32.11583924349878 - ] - }, - { - "id": "1326-tab1-c12", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 399.73039038186846, - 406.3927198856376, - 27.04491725768321, - 22.3965721040189 - ] - }, - { - "id": "1326-tab1-c13", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 20.633478028222566, - 444.3924774119099, - 19.6018276762402, - 18.80175307720998 - ] - }, - { - "id": "1326-tab1-c14", - "text": "\\textbf{\\refiden{A}}(5 mol%); \\textit{tert}-BuOOH(8 equiv), benzene, 40℃, 16 h^{\\color{blue}{52}}", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 57.83694688312744, - 443.9924401123948, - 316.82954121596407, - 31.20290936217833 - ] - }, - { - "id": "1326-tab1-c15", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 400.6689125675734, - 439.9920671172437, - 26.40246176799701, - 23.202163371876168 - ] - }, - { - "id": "1326-tab1-c16", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.23362722628299, - 476.7954986726335, - 14.001305483028716, - 18.80175307720998 - ] - }, - { - "id": "1326-tab1-c17", - "text": "[RuPPh_3)_2Cl_2](5 mol%); \\textit{tert}-BuOOH(8 equiv), benzene, 60℃, 16 h^{\\color{blue}{51}}", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 56.63683498458212, - 476.3954613731184, - 298.4278254382692, - 32.002983961208486 - ] - }, - { - "id": "1326-tab1-c18", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 400.6689125675734, - 473.19516297699755, - 27.20253636702722, - 24.402275270421455 - ] - }, - { - "id": "1326-tab1-c19", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 21.833589926767885, - 511.99878102996286, - 14.801380082058927, - 18.401715777694903 - ] - }, - { - "id": "1326-tab1-c20", - "text": "\\textbf{\\refiden{A}}(5 mol%); \\textit{tert}-BuOOH(8 equiv), benzene, 60℃, 16 h^{\\color{blue}{52}}", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 57.436909583612334, - 513.1988929285081, - 315.6294293174187, - 28.8026855650877 - ] - }, - { - "id": "1326-tab1-c21", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 401.0689498670885, - 509.19851993335715, - 27.6025736665423, - 21.201976874300613 - ] - }, - { - "id": "1326-tab1-c22", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 20.23344072870746, - 545.2018768897167, - 16.001491980604246, - 18.401715777694903 - ] - }, - { - "id": "1326-tab1-c23", - "text": "CrO_3(5 mol%); \\textit{tert}-BuOOH(7 equiv), C_6H_5CF_3, 20℃, 16 h^{\\color{blue}{54}}", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 59.43709608118786, - 546.8020260877771, - 299.22790003729943, - 32.00298396120843 - ] - }, - { - "id": "1326-tab1-c24", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 399.8688379685432, - 543.6017276916563, - 29.602760164117853, - 22.802126072361034 - ] - }, - { - "id": "1326-tab1-c25", - "text": "8", - "start_row": "9", - "end_row": "9", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 21.966083537123062, - 580.6238253566721, - 16.088587066693684, - 17.393067099128302 - ] - }, - { - "id": "1326-tab1-c26", - "text": "Pyridinium chlorochromate(25 equiv),4 Å-molecular sieves,benzene, 80℃,16 h^{\\color{blue}{55}}", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 57.00614929199219, - 580.5294189453125, - 311.13795471191406, - 32.96577835083008 - ] - }, - { - "id": "1326-tab1-c27", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "9", - "end_row": "9", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 400.7395313278132, - 575.3437566347709, - 28.150578483854247, - 23.70575030219311 - ] - }, - { - "id": "1326-tab1-c28", - "text": "9", - "start_row": "10", - "end_row": "10", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 21.817928841196014, - 613.8656008758347, - 15.186496287342429, - 19.63132446900363 - ] - }, - { - "id": "1326-tab1-c29", - "text": "Pyridinium chlorochromate(10 mol%), \\textit{tert}-BuOOH(4 equiv), C_6H_5CF_3, 20℃, 96 h^{\\color{blue}{54}}", - "start_row": "10", - "end_row": "10", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 58.85816368837268, - 614.6064055727782, - 311.5083750647557, - 32.5954066655155 - ] - }, - { - "id": "1326-tab1-c30", - "text": "<20\\color{blue}{\\refmark{c}}", - "start_row": "10", - "end_row": "10", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 399.6283264160156, - 613.4951782226562, - 33.70660400390625, - 19.631343841552734 - ] - }, - { - "id": "1326-tab1-c31", - "text": "10", - "start_row": "11", - "end_row": "11", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 21.447526492724247, - 648.6834216321807, - 22.594543256777765, - 17.779312726644775 - ] - }, - { - "id": "1326-tab1-c32", - "text": "SeO_2(5 mol%),PIDA(5 equiv),dioxane, 100℃,16 h^{\\color{blue}{56,57}}", - "start_row": "11", - "end_row": "11", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 58.85816368837268, - 647.5722145867654, - 297.80348817130033, - 32.96580901398727 - ] - }, - { - "id": "1326-tab1-c33", - "text": "<5\\color{blue}{\\refmark{b}}", - "start_row": "11", - "end_row": "11", - "start_col": "3", - 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"bbox": [ - 213.60572337042927, - 738.047694753577, - 933.2559618441973, - 77.54848966613679 - ] - } - ], - "reactions": [ - { - "id": "1328-rea1", - "reactants": [ - { - "id": "1328-rea1-rea-sub1", - "text": "\\iden{26}", - "maps": [ - { - "identifier": "26", - "smiles": "[#smiles#]O(C)C1C=C(C=C(C=1)OC)C(C1C(=C2CCC(C3C=CC(=CC=3)OCC3=CC=C(C=C3)OC)OC2=CC=1OCC1=CC=C(C=C1)OC)OC)=O[#smiles#]" - } - ], - "bbox": [ - 211.22427368164062, - 81.91517639160156, - 339.5049133300781, - 197.28297424316406 - ] - } - ], - "conditions": [ - { - "id": "1328-rea1-con1", - "text": "N_2H_4,EtOH,conditions", - "maps": [], - "bbox": [ - 584.5915294330415, - 143.71399148021763, - 193.01546824145214, - 33.01580377814312 - ] - } - ], - "products": [ - { - "id": "1328-rea1-pro-sub1", - "text": "\\iden{16}", - "maps": [ - { - "identifier": "16", - "smiles": "[#smiles#]O(C1C=C(OC)C=C(/C(=N\\N)/C2C(OCC3C=CC(OC)=CC=3)=CC3=C(CCC(O3)C3C=CC(OCC4C=CC(OC)=CC=4)=CC=3)C=2OC)C=1)C[#smiles#]" - } - ], - "bbox": [ - 814.009033203125, - 84.4548568725586, - 328.4649353027344, - 194.0027847290039 - ] - } - ], - "text": "", - "bbox": [ - 196.2241668701172, - 73.53736114501953, - 968.0191192626953, - 212.58983612060547 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1328-tab1", - "text": "", - "bbox": [ - 216.2798092209857, - 292.81240063593003, - 937.2670906200317, - 434.5389507154213 - ], - "data": [ - { - "id": "1328-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 222.5503554538133, - 302.3329424258175, - 48.22247706422016, - 25.224064925899768 - ] - }, - { - "id": "1328-tab1-c2", - "text": "N_2H_4(eq)", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 284.1267492435098, - 297.0104953549057, - 83.83292166549046, - 27.449717713479174 - ] - }, - { - "id": "1328-tab1-c3", - "text": "acid", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 383.53924560546875, - 299.23614501953125, - 43.029296875, - 21.5146484375 - ] - }, - { - "id": "1328-tab1-c4", - "text": "additive", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 563.0752319534602, - 297.0104953549057, - 72.70465772759349, - 25.224064925899768 - ] - }, - { - "id": "1328-tab1-c5", - "text": "EtOH", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 690.679325108012, - 296.2686110923792, - 54.89943542695835, - 23.740296400846887 - ] - }, - { - "id": "1328-tab1-c6", - "text": "temp(℃)", - "start_row": "1", - "end_row": "1", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 766.3515198857112, - 297.75237961743215, - 80.12350035285806, - 24.4821806633733 - ] - }, - { - "id": "1328-tab1-c7", - "text": "time(h)", - "start_row": "1", - "end_row": "1", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 865.0221268017309, - 296.2686110923792, - 66.76958362738185, - 25.965949188426237 - ] - }, - { - "id": "1328-tab1-c8", - "text": "conversion\\refmark{a}", - "start_row": "1", - "end_row": "1", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 942.1780901044832, - 295.5267268298528, - 97.18683839096673, - 29.675370501058524 - ] - }, - { - "id": "1328-tab1-c9", - "text": "isolated yield", - "start_row": "1", - "end_row": "1", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1041.5905812830295, - 296.2686110923792, - 105.34756527875766, - 26.707833450952705 - ] - }, - { - "id": "1328-tab1-c10", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 234.4204864501953, - 346.71673583984375, - 20.030899047851562, - 25.96595573425293 - ] - }, - { - "id": "1328-tab1-c11", - "text": "30", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 309.35081416940955, - 345.97485668165234, - 28.191601976005643, - 22.99841213832036 - ] - }, - { - "id": "1328-tab1-c12", - "text": "3.0 eq AcOH", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 382.79736328125, - 347.4586181640625, - 109.05697631835938, - 25.224069595336914 - ] - }, - { - "id": "1328-tab1-c13", - "text": "-", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 585.3317598292541, - 354.13558356944344, - 30.417254763584992, - 14.837685250529262 - ] - }, - { - "id": "1328-tab1-c14", - "text": "0.05 M", - "start_row": "2", - "end_row": "2", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 686.9699037953797, - 348.2005094692317, - 63.80204657727586, - 22.99841213832042 - ] - }, - { - "id": "1328-tab1-c15", - "text": "160", - "start_row": "2", - "end_row": "2", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 789.3499320240317, - 347.4586252067052, - 38.57798165137615, - 20.030875088214543 - ] - }, - { - "id": "1328-tab1-c16", - "text": "3", - "start_row": "2", - "end_row": "2", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 885.0530018899454, - 348.2005094692317, - 22.25652787579395, - 20.772759350741012 - ] - }, - { - "id": "1328-tab1-c17", - "text": "SM remains\\refmark{b}", - "start_row": "2", - "end_row": "2", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 935.501131741745, - 339.2978983189141, - 112.02452364149599, - 30.41725476358505 - ] - }, - { - "id": "1328-tab1-c18", - "text": "-", - "start_row": "2", - "end_row": "2", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1080.1685629344054, - 353.393699306917, - 29.67537050105875, - 14.095800988002793 - ] - }, - { - "id": "1328-tab1-c19", - "text": "100", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 307.02350511240155, - 373.766780879216, - 34.898639455782245, - 21.740136054421782 - ] - }, - { - "id": "1328-tab1-c20", - "text": "-", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 380.825545928728, - 377.19943394044054, - 19.45170068027204, - 15.446938775510148 - ] - }, - { - "id": "1328-tab1-c21", - "text": "8 eq MgSO_4", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 547.3092193981155, - 374.33888972275344, - 104.69591836734685, - 24.02857142857141 - ] - }, - { - "id": "1328-tab1-c22", - "text": "160", - "start_row": "3", - "end_row": "3", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 789.8833690579792, - 373.766780879216, - 37.75918367346935, - 20.02380952380952 - ] - }, - { - "id": "1328-tab1-c23", - "text": "3", - "start_row": "3", - "end_row": "3", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 889.4302978515625, - 372.6225891113281, - 16.5911865234375, - 22.312217712402344 - ] - }, - { - "id": "1328-tab1-c24", - "text": "63%", - "start_row": "3", - "end_row": "3", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 965.529703867347, - 371.9616555174403, - 43.70723256821134, - 21.85361628410567 - ] - }, - { - "id": "1328-tab1-c25", - "text": "32%", - "start_row": "3", - "end_row": "3", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1073.2368126961535, - 373.5226281091621, - 40.58528738476775, - 21.073129988244773 - ] - }, - { - "id": "1328-tab1-c26", - "text": "2", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 237.33598982911204, - 397.7177032808505, - 18.73167110066197, - 22.634102579966566 - ] - }, - { - "id": "1328-tab1-c27", - "text": "36", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 312.8300435781869, - 398.4413858530999, - 26.637615153710783, - 20.36994099989647 - ] - }, - { - "id": "1328-tab1-c28", - "text": "3.0 eq AcOH", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 382.8190612792969, - 398.9637145996094, - 108.63970947265625, - 22.981449127197266 - ] - }, - { - "id": "1328-tab1-c29", - "text": "5 eq MgSO_4", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 549.4347428846766, - 400.0083043915535, - 100.8050926405133, - 21.414553358865476 - ] - }, - { - "id": "1328-tab1-c30", - "text": "0.05 M", - "start_row": "4", - "end_row": "4", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 688.3681866275601, - 397.9190796736154, - 63.199047717627536, - 21.414553358865533 - ] - }, - { - "id": "1328-tab1-c31", - "text": "90", - "start_row": "4", - "end_row": "4", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 793.3517287039496, - 398.4413858530999, - 27.6822275126799, - 21.936859538350063 - ] - }, - { - "id": "1328-tab1-c32", - "text": "72", - "start_row": "4", - "end_row": "4", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 885.8355992126372, - 398.7735905981136, - 24.04001905669361, - 20.03334921391138 - ] - }, - { - "id": "1328-tab1-c33", - "text": "13%", - "start_row": "4", - "end_row": "4", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 967.6043417579398, - 398.2900713593535, - 41.181365728352716, - 20.928235042277606 - ] - }, - { - "id": "1328-tab1-c34", - "text": "-", - "start_row": "4", - "end_row": "4", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1081.0218735999604, - 403.6909062089735, - 24.978861179492696, - 13.502087124050036 - ] - }, - { - "id": "1328-tab1-c35", - "text": "3", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 236.34729995225646, - 423.3181912103593, - 18.170324284313892, - 21.703442895152705 - ] - }, - { - "id": "1328-tab1-c36", - "text": "20", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 312.5617157003509, - 422.8134599802395, - 24.227099045751856, - 21.703442895152705 - ] - }, - { - "id": "1328-tab1-c37", - "text": "2.4 eq AcOH", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 383.72881914724695, - 425.33711613083864, - 106.4982895552842, - 18.675055514433723 - ] - }, - { - "id": "1328-tab1-c38", - "text": "5 eq MgSO_4", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 548.2711791992188, - 423.82293701171875, - 102.46044921875, - 23.25048828125 - ] - }, - { - "id": "1328-tab1-c39", - "text": "0.08 M", - "start_row": "5", - "end_row": "5", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 689.0912133697443, - 423.3181912103593, - 60.56774761437964, - 21.198711665032874 - ] - }, - { - "id": "1328-tab1-c40", - "text": "120", - "start_row": "5", - "end_row": "5", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 790.6277768577734, - 423.1207789153584, - 33.7544217687074, - 21.168027210884304 - ] - }, - { - "id": "1328-tab1-c41", - "text": "72", - "start_row": "5", - "end_row": "5", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 883.8815183543719, - 424.26499660243326, - 28.033333333333303, - 20.595918367346883 - ] - }, - { - "id": "1328-tab1-c42", - "text": "38%", - "start_row": "5", - "end_row": "5", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 966.2651918237596, - 423.1207789153584, - 41.191836734693766, - 20.595918367346883 - ] - }, - { - "id": "1328-tab1-c43", - "text": "-", - "start_row": "5", - "end_row": "5", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1080.114851687705, - 428.84186735073257, - 26.88911564625846, - 13.73061224489794 - ] - }, - { - "id": "1328-tab1-c44", - "text": "4", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 236.595108409248, - 448.1262290807825, - 17.972583223295544, - 19.726005976787803 - ] - }, - { - "id": "1328-tab1-c45", - "text": "20", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 313.3073425292969, - 449.0029296875, - 24.547929763793945, - 21.47943878173828 - ] - }, - { - "id": "1328-tab1-c46", - "text": "2.4 eq AcOH", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 383.00592041015625, - 448.5645751953125, - 106.19097900390625, - 22.682891845703125 - ] - }, - { - "id": "1328-tab1-c47", - "text": "100% wt% silica gel", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 528.5399968657075, - 449.0029404575286, - 145.5340885398566, - 22.356140107026192 - ] - }, - { - "id": "1328-tab1-c48", - "text": "0.08 M", - "start_row": "6", - "end_row": "6", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 689.4165344986213, - 449.4412961459017, - 61.369796372228734, - 20.602717353533933 - ] - }, - { - "id": "1328-tab1-c49", - "text": "120", - "start_row": "6", - "end_row": "6", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 790.6744167393662, - 449.21833871513195, - 35.15763804215294, - 20.020321662892627 - ] - }, - { - "id": "1328-tab1-c50", - "text": "72", - "start_row": "6", - "end_row": "6", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 884.9619750976562, - 450.0516357421875, - 25.97515869140625, - 20.56365966796875 - ] - }, - { - "id": "1328-tab1-c51", - "text": "46%", - "start_row": "6", - "end_row": "6", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 967.7578232435824, - 448.9693332745102, - 41.12734058297394, - 21.104819509684035 - ] - }, - { - "id": "1328-tab1-c52", - "text": "-", - "start_row": "6", - "end_row": "6", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1080.858009846761, - 453.2985270200864, - 29.22205778263924, - 14.06987967312267 - ] - }, - { - "id": "1328-tab1-c53", - "text": "5", - "start_row": "7", - "end_row": "7", - "start_col": "1", - 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"maps": [], - "bbox": [ - 685.8363037109375, - 473.6849670410156, - 61.69097900390625, - 22.18702507019043 - ] - }, - { - "id": "1328-tab1-c58", - "text": "120", - "start_row": "7", - "end_row": "7", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 792.4426879882812, - 474.7672424316406, - 33.01007080078125, - 19.481332778930664 - ] - }, - { - "id": "1328-tab1-c59", - "text": "72", - "start_row": "7", - "end_row": "7", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 883.0269312879822, - 473.0654941677763, - 29.09086351673136, - 20.869532522872532 - ] - }, - { - "id": "1328-tab1-c60", - "text": "32%", - "start_row": "7", - "end_row": "7", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 968.4022916088243, - 474.33031432067764, - 39.20942473994228, - 18.9723022935205 - ] - }, - { - "id": "1328-tab1-c61", - "text": "-", - "start_row": "7", - "end_row": "7", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1079.0740549876937, - 480.0220050087338, - 28.458453440280664, - 11.383381376112311 - ] - }, - { - "id": "1328-tab1-c62", - "text": "6", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 234.86445400100587, - 498.81267360412124, - 17.634878336464084, - 21.492507972565647 - ] - }, - { - "id": "1328-tab1-c63", - "text": "20", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 311.4659423828125, - 498.81268310546875, - 27.55450439453125, - 21.49249839782715 - ] - }, - { - "id": "1328-tab1-c64", - "text": "1.2 eq AcOH", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 383.65873996492166, - 498.81267360412124, - 106.36035996679908, - 21.492507972565647 - ] - }, - { - "id": "1328-tab1-c65", - "text": "100% wt% silica gel", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 529.1464862407505, - 497.7104937080922, - 146.58992617185777, - 23.69686776462362 - ] - }, - { - "id": "1328-tab1-c66", - "text": "0.15 M", - "start_row": "8", - "end_row": "8", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 689.5136611129708, - 498.81267360412124, - 59.517714385566364, - 20.94141802455107 - ] - }, - { - "id": "1328-tab1-c67", - "text": "160", - "start_row": "8", - "end_row": "8", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 790.9141845703125, - 498.2615966796875, - 33.61651611328125, - 22.59466552734375 - ] - }, - { - "id": "1328-tab1-c68", - "text": "4.5", - "start_row": "8", - "end_row": "8", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 882.3951429180469, - 498.2615836561067, - 30.861037088812168, - 20.39032807653666 - ] - }, - { - "id": "1328-tab1-c69", - "text": "74%", - "start_row": "8", - "end_row": "8", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 966.6691996964229, - 497.12548647287997, - 41.001400952647714, - 23.32838330064442 - ] - }, - { - "id": "1328-tab1-c70", - "text": "40%\\refmark{c}", - "start_row": "8", - "end_row": "8", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1073.4141845703125, - 491.4700927734375, - 53.01904296875, - 27.56982421875 - ] - }, - { - "id": "1328-tab1-c71", - "text": "7", - "start_row": "9", - "end_row": "9", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 237.01037002246616, - 524.8252331678489, - 16.377935717971354, - 18.477671066429252 - ] - }, - { - "id": "1328-tab1-c72", - "text": "0.5 mL", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 294.5431185702116, - 524.8252331678489, - 63.41200752342746, - 18.477671066429252 - ] - }, - { - "id": "1328-tab1-c73", - "text": "1.2 eq AcOH", - "start_row": "9", - "end_row": "9", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 385.2516856235913, - 523.9853390284658, - 104.14687328350999, - 19.737512275503946 - ] - }, - { - "id": "1328-tab1-c74", - "text": "100% wt% silica gel", - "start_row": "9", - "end_row": "9", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 529.7134775974922, - 523.5653919587742, - 140.2623212769853, - 23.51703590272814 - ] - }, - { - "id": "1328-tab1-c75", - "text": "-\\refmark{d}", - "start_row": "9", - "end_row": "9", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 705.6712997982611, - 520.6257624709333, - 33.5957655753258, - 21.417300554270128 - ] - }, - { - "id": "1328-tab1-c76", - "text": "160", - "start_row": "9", - "end_row": "9", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 790.9971675298225, - 522.2693884242154, - 32.30279872766914, - 20.189249204793214 - ] - }, - { - "id": "1328-tab1-c77", - "text": "3", - "start_row": "9", - "end_row": "9", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 887.90556371283, - 522.7741196543352, - 20.189249204793214, - 20.6939804349131 - ] - }, - { - "id": "1328-tab1-c78", - "text": "100%", - "start_row": "9", - "end_row": "9", - "start_col": "8", - "end_col": "8", - "maps": [], - "bbox": [ - 963.615234375, - 523.2788696289062, - 48.95892333984375, - 22.2081298828125 - ] - }, - { - "id": "1328-tab1-c79", - "text": "decomp.", - "start_row": "9", - "end_row": "9", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1059.0094507234526, - 522.7741196543352, - 73.18602836737546, - 24.22709904575197 - ] - }, - { - "id": "1328-tab1-c80", - "text": "8", - "start_row": "10", - "end_row": "10", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 235.60745618812408, - 547.7729135130518, - 19.66774818810046, - 22.32555199730325 - ] - }, - { - "id": "1328-tab1-c81", - "text": "0.5 mL", - "start_row": "10", - "end_row": "10", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 293.0160184669038, - 548.8360350367329, - 63.787291420866325, - 21.26243047362209 - ] - }, - { - "id": "1328-tab1-c82", - "text": "1 drop AcOH", - "start_row": "10", - "end_row": "10", - 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"bbox": [ - 963.2636153793854, - 699.2785506646355, - 47.62113120133847, - 20.56367029148703 - ] - }, - { - "id": "1328-tab1-c136", - "text": "58%\\refmark{f}", - "start_row": "16", - "end_row": "16", - "start_col": "9", - "end_col": "9", - "maps": [], - "bbox": [ - 1071.493408203125, - 690.1422119140625, - 52.969482421875, - 30.24115562438965 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1329.json b/ChemTable/josn/1329.json deleted file mode 100644 index e952e1215ee9e6a4e2be5393e0566517111054bb..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1329.json +++ /dev/null @@ -1,553 +0,0 @@ -{ - "id": "1329", - "source": "https://doi.org/10.1021/acs.orglett.0c04026", - "data": { - "title": [ - { - "type": "Table", - "index": "S7", - "text": "Optimized reaction conditions and control experiments for Protocol A.\\refmark{a}", - "bbox": [ - 232.5540313720703, - 11.297297477722168, - 843.1892547607422, - 45.18919086456299 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Reaction conditions: \\textbf{\\refiden{1a}}(50 μmol), DDQ(2 equiv), CH_2Cl_2(5 mL), H_2O (50 μL), irradiation at 525 nm(80W) at rt. \\mark{b}Determined by ^1H-NMR using maleic acid as internal standard. \\mark{c}not detected.", - "bbox": [ - 33.31081081081086, - 555.6216216216216, - 1160.5405405405406, - 70.8648648648649 - ] - } - ], - "reactions": [ - { - "id": "1329-rea1", - "reactants": [ - { - "id": "1329-rea1-rea-sub1", - "text": "0.05 mmol,10 mM\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]O(C(C)=O)CC1[C@H]([C@@H]([C@H]([C@H](OC(C)=O)O1)OC(C)=O)OCC1C=CC=CC=1)OC(C)=O[#smiles#]" - } - ], - "bbox": [ - 244.8783721923828, - 72.9189224243164, - 217.729736328125, - 156.10810089111328 - ] - } - ], - "conditions": [ - { - "id": "1329-rea1-con1", - "text": "DDQ(1.5 equiv)", - "maps": [], - "bbox": [ - 478.01351351351354, - 90.37837837837837, - 180.75675675675677, - 33.89189189189189 - ] - }, - { - "id": "1329-rea1-con2", - "text": "CH_2Cl_2/H_2O(99:1) 525 nm", - 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"id": "1330", - "source": "https://doi.org/10.1021/acs.orglett.0c04026", - "data": { - "title": [ - { - "type": "Table", - "index": "S13", - "text": "Optimized reaction conditions and control experiments for Protocol B.\\refmark{a}", - "bbox": [ - 169.17567567567565, - 4.756756756756757, - 614.8108108108108, - 41.62162162162162 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Reaction conditions: \\textbf{\\refiden{1a}}(50 μmol), DDQ(25 mol%), TBN(25 mol%), CH_2Cl_2 (5 mL), H_2O(50 μL), irradiation at 525 nm(40 W) at rt. \\mark{b} Determined by ^1H-NMR using maleic acid as internal standard.\\mark{c} not detected.", - "bbox": [ - 20.589347079037776, - 678.5979381443299, - 843.106529209622, - 57.83505154639181 - ] - } - ], - "reactions": [ - { - "id": "1330-rea1", - "reactants": [ - { - "id": "1330-rea1-rea-sub1 ", - "text": "0.05 mmol,10 mM\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]O(C(C)=O)CC1[C@H]([C@@H]([C@H]([C@H](OC(C)=O)O1)OC(C)=O)OCC1C=CC=CC=1)OC(C)=O[#smiles#]" - 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] - }, - { - "id": "1330-tab1-c28", - "text": "98", - "start_row": "4", - "end_row": "4", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 784.8480073220677, - 350.54757371008145, - 36.741071839724555, - 32.14843785975887 - ] - }, - { - "id": "1330-tab1-c29", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 51.86362411956494, - 401.06654748970254, - 28.474330675786454, - 26.637277083800257 - ] - }, - { - "id": "1330-tab1-c30", - "text": "No light", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 175.86474157863498, - 399.22949389771634, - 88.17857241533866, - 30.311384267772667 - ] - }, - { - "id": "1330-tab1-c31", - "text": "120", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 359.5701007772572, - 396.47391350973703, - 45.92633979965558, - 31.22991106376577 - ] - }, - { - "id": "1330-tab1-c32", - "text": "96", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 464.2821350097656, - 395.5553894042969, - 36.74112319946289, - 30.311382293701172 - ] - }, - { - "id": "1330-tab1-c33", - "text": "2", - "start_row": "5", - "end_row": "5", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 577.2609514276246, - 396.47391350973703, - 26.6372770838002, - 32.14843785975887 - ] - }, - { - "id": "1330-tab1-c34", - "text": "n.d.", - "start_row": "5", - "end_row": "5", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 676.4618453948806, - 397.39244030573013, - 45.00781300366248, - 30.311384267772667 - ] - }, - { - "id": "1330-tab1-c35", - "text": "98", - "start_row": "5", - "end_row": "5", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 783.0109537300815, - 394.63685991775077, - 35.82254504373134, - 33.98549145174513 - ] - }, - { - "id": "1330-tab1-c36", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 51.863624572753906, - 442.4002990722656, - 29.392852783203125, - 35.822509765625 - ] - }, - { - "id": "1330-tab1-c37", - "text": "No TBN", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 176.3342030829927, - 441.5158896069051, - 91.64663440008889, - 32.1567138245926 - ] - }, - { - "id": "1330-tab1-c38", - "text": "120", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 360.4313897287853, - 442.3198074525199, - 41.803727971970375, - 32.1567138245926 - ] - }, - { - "id": "1330-tab1-c39", - "text": "77", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 468.9602988867852, - 443.92764314374955, - 32.1567138245926, - 29.744960287748142 - ] - }, - { - "id": "1330-tab1-c40", - "text": "23", - "start_row": "6", - "end_row": "6", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 576.6852901991704, - 443.92764314374955, - 36.98022089828157, - 31.35279597897778 - ] - }, - { - "id": "1330-tab1-c41", - "text": "n.d.", - "start_row": "6", - "end_row": "6", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 669.939760290489, - 447.1433145262088, - 49.842906428118454, - 24.117535368444408 - ] - }, - { - "id": "1330-tab1-c42", - "text": ">99", - "start_row": "6", - "end_row": "6", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 776.8608337572592, - 445.5354788349792, - 49.03898858250375, - 28.137124596518504 - ] - }, - { - "id": "1330-tab1-c43", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 49.31518347585199, - 492.1627138806384, - 30.548878133362955, - 30.54887813336302 - ] - }, - { - "id": "1330-tab1-c44", - "text": "No DDQ", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 175.5302852373779, - 489.75096034379396, - 95.66622362816295, - 34.568467361437 - ] - }, - { - "id": "1330-tab1-c45", - "text": "120", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 359.6274718831705, - 492.1627138806384, - 42.607645817585194, - 28.13712459651856 - ] - }, - { - "id": "1330-tab1-c46", - "text": ">99", - "start_row": "7", - "end_row": "7", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 462.5289561218667, - 493.77054957186806, - 48.23507073688887, - 28.13712459651856 - ] - }, - { - "id": "1330-tab1-c47", - "text": "n.d.", - "start_row": "7", - "end_row": "7", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 563.8226318359375, - 494.574462890625, - 47.43109130859375, - 30.54888343811035 - ] - }, - { - "id": "1330-tab1-c48", - "text": "n.d.", - "start_row": "7", - "end_row": "7", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 669.1358642578125, - 490.5549011230469, - 49.8428955078125, - 35.372344970703125 - ] - }, - { - "id": "1330-tab1-c49", - "text": ">99", - "start_row": "7", - "end_row": "7", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 777.6647338867188, - 493.7705383300781, - 53.862510681152344, - 26.529300689697266 - ] - }, - { - "id": "1330-tab1-c50", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 51.72693701269643, - 537.9860310806829, - 27.333206750903706, - 28.137124596518447 - ] - }, - { - "id": "1330-tab1-c51", - "text": "No TBN and no DDQ", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 120.05995388995568, - 533.9664418526088, - 209.01863985985182, - 36.17630305266664 - ] - }, - { - "id": "1330-tab1-c52", - "text": "120", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 361.2353210449219, - 540.3977661132812, - 45.322265625, - 28.04376220703125 - ] - }, - { - "id": "1330-tab1-c53", - "text": ">99", - "start_row": "8", - "end_row": "8", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 460.11720258502226, - 539.5938667719125, - 46.62723504565929, - 27.333206750903628 - ] - }, - { - "id": "1330-tab1-c54", - "text": "n.d.", - "start_row": "8", - "end_row": "8", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 570.2539474342519, - 542.005620308757, - 43.41156366320001, - 28.137124596518447 - ] - }, - { - "id": "1330-tab1-c55", - "text": "n.d.", - "start_row": "8", - "end_row": "8", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 667.5280067536445, - 537.9860310806829, - 54.66641350180737, - 31.352795978977724 - ] - }, - { - "id": "1330-tab1-c56", - "text": ">99", - "start_row": "8", - "end_row": "8", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 780.8804229853333, - 537.9860310806829, - 45.01939935442965, - 29.744960287748086 - ] - }, - { - "id": "1330-tab1-c57", - "text": "8", - "start_row": "9", - "end_row": "9", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 54.138690549540875, - 584.6132661263421, - 28.13712459651851, - 29.7449602877482 - ] - }, - { - "id": "1330-tab1-c58", - "text": "No DDQ and no light", - "start_row": "9", - "end_row": "9", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 120.05995388995568, - 583.8093482807274, - 204.19513278616296, - 34.568467361437 - ] - }, - { - "id": "1330-tab1-c59", - "text": "120", - "start_row": "9", - "end_row": "9", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 362.03922542001493, - 579.7897590526533, - 40.195892280740736, - 34.568467361437 - ] - }, - { - "id": "1330-tab1-c60", - "text": ">99", - "start_row": "9", - "end_row": "9", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 459.31329345703125, - 587.0250244140625, - 48.512237548828125, - 27.599365234375 - ] - }, - { - "id": "1330-tab1-c61", - "text": "n.d.", - "start_row": "9", - "end_row": "9", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 571.8617831254816, - 584.6132661263421, - 40.195892280740736, - 28.13712459651856 - ] - }, - { - "id": "1330-tab1-c62", - "text": "n.d.", - "start_row": "9", - "end_row": "9", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 674.7632446289062, - 584.61328125, - 40.99981689453125, - 32.96063232421875 - ] - }, - { - "id": "1330-tab1-c63", - "text": ">99", - "start_row": "9", - "end_row": "9", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 778.4686694484889, - 583.0054304351125, - 44.21548150881483, - 28.941042442133266 - ] - }, - { - "id": "1330-tab1-c64", - "text": "9", - "start_row": "10", - "end_row": "10", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 51.72693701269643, - 631.2405011720014, - 28.94104244213333, - 28.94104244213338 - ] - }, - { - "id": "1330-tab1-c65", - "text": "Degassed with argon", - "start_row": "10", - "end_row": "10", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 127.29521450048901, - 629.6326654807717, - 188.92069371948145, - 34.568467361437115 - ] - }, - { - "id": "1330-tab1-c66", - "text": "120", - "start_row": "10", - "end_row": "10", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 363.64706111124457, - 632.0444190176162, - 35.37238520705182, - 28.13712459651856 - ] - }, - { - "id": "1330-tab1-c67", - "text": "55", - "start_row": "10", - "end_row": "10", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 469.76422119140625, - 630.4365844726562, - 32.15118408203125, - 32.1456298828125 - ] - }, - { - "id": "1330-tab1-c68", - "text": "39", - "start_row": "10", - "end_row": "10", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 575.0774545079407, - 632.848336863231, - 32.960631670207476, - 25.725371059674103 - ] - }, - { - "id": "1330-tab1-c69", - "text": "<2", - "start_row": "10", - "end_row": "10", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 681.1946101290963, - 629.6326654807717, - 32.15671382459266, - 29.7449602877482 - ] - }, - { - "id": "1330-tab1-c70", - "text": "96", - "start_row": "10", - "end_row": "10", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 784.0960943677926, - 630.4365833263865, - 32.15671382459254, - 30.54887813336302 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1331.json b/ChemTable/josn/1331.json deleted file mode 100644 index 8492fad9bf19546ab254c35c3a4f4f27645e177d..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1331.json +++ /dev/null @@ -1,942 +0,0 @@ -{ - "id": "1331", - "source": "https://doi.org/10.1021/acs.jo4028243", - "data": { - "title": [ - { - "type": "Table", - "index": "5", - "text": "Optimization of the Reduction of Anthracene with SmI_2(H_2O)_n", - "bbox": [ - 13.035771369934082, - 6.047694683074951, - 614.8489942550659, - 61.919819355010986 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Determined by GC or ^1H NMR. All reactions quenched with air after the indicated time.In cases when time is <2 h, SmI_2(H_2O)_n complexes were oxidized by excess of water to Sm(Ⅲ). \\mark{b}Side-by-side reactions. \\mark{c}Reproduced from Table 1. Conditions: 0.05 mmol of substrate, 3 equiv of SmI_2. Yield(^1H NMR)in brackets.", - "bbox": [ - 11.26515007019043, - 492.7357482910156, - 611.1144275665283, - 131.10714721679688 - ] - } - ], - "reactions": [ - { - "id": "1331-rea1", - "reactants": [ - { - "id": "1331-rea1-rea-sub1", - "text": "\\iden{3}", - "maps": [ - { - "identifier": "3", - "smiles": "[#smiles#]C1C2C(C=C3C=CC=CC=13)=CC=CC=2[#smiles#]" - } - ], - "bbox": [ - 75.69530595270172, - 77.08195441758919, - 149.29491833030846, - 96.65335753176039 - ] - } - ], - "conditions": [ - { - "id": "1331-rea1-con1", - "text": "SmI_2(H_2O)_n", - "maps": [], - "bbox": [ - 262.0982097639539, - 72.7670723849213, - 107.87205081669686, - 29.341197822141552 - ] - }, - { - "id": "1331-rea1-con2", - "text": "THF,rt", - "maps": [], - "bbox": [ - 281.9466671142261, - 115.05291630506647, - 69.90108892921961, - 29.341197822141538 - ] - } - ], - "products": [ - { - "id": "1331-rea1-pro-sub1", - "text": "\\iden{3a}", - "maps": [ - { - "identifier": "3a", - "smiles": "[#smiles#]C1C2C(CC3C=CC=CC13)=CC=CC=2[#smiles#]" - } - ], - "bbox": [ - 410.5301516877288, - 78.80790723065633, - 153.60980036297633, - 95.79038112522682 - ] - } - ], - "text": "", - "bbox": [ - 67.95671081542969, - 67.8388671875, - 498.7345886230469, - 110.6518783569336 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1331-tab1", - "text": "", - "bbox": [ - 20.276676177978516, - 179.09228515625, - 598.9913902282715, - 313.4733581542969 - ], - "data": [ - { - "id": "1331-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 26.583592441290214, - 188.20808190987904, - 45.78523980742269, - 22.02327990736788 - ] - }, - { - "id": "1331-tab1-c2", - "text": "SmI_2(equiv)", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 100.18771362304688, - 185.31028747558594, - 108.37771606445312, - 25.500640869140625 - ] - }, - { - "id": "1331-tab1-c3", - "text": "H_2O(equiv/SmI_2)", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 235.22519156372272, - 183.57160192938056, - 153.00383935645056, - 27.818879882990984 - ] - }, - { - "id": "1331-tab1-c4", - "text": "time", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 427.6391107544105, - 186.4694019171921, - 51.5808397830458, - 22.602839904930192 - ] - }, - { - "id": "1331-tab1-c5", - "text": "conv\\refmark{a}(%)", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 520.3687103643805, - 182.99204193181825, - 90.99091961728311, - 26.659759887866358 - ] - }, - { - "id": "1331-tab1-c6", - "text": "1\\refmark{b}", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 35.27699279785156, - 213.70872497558594, - 27.23931884765625, - 25.500640869140625 - ] - }, - { - "id": "1331-tab1-c7", - "text": "3", - "start_row": "2", - "end_row": "2", - "start_col": "2", - 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"text": "37 min", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 421.38843465256963, - 298.7267359675282, - 60.75209362250365, - 23.48400257676616 - ] - }, - { - "id": "1331-tab1-c25", - "text": "93.2", - "start_row": "5", - "end_row": "5", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 525.0243590674288, - 299.2372577626753, - 42.37330899720837, - 21.441915396177762 - ] - }, - { - "id": "1331-tab1-c26", - "text": "5\\refmark{c}", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 36.96497041271848, - 325.1822980895934, - 21.371878032585904, - 23.314776035548277 - ] - }, - { - "id": "1331-tab1-c27", - "text": "3", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 145.76725857861035, - 327.6109205932964, - 20.88615353184531, - 21.857602533326485 - ] - }, - { - "id": "1331-tab1-c28", - "text": "500", - "start_row": "6", - 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"data": { - "title": [ - { - "type": "Table", - "index": "6", - "text": "Optimization of the Reduction of Stilbene with SmI_2(H_2O)_n", - "bbox": [ - 6.151828289031982, - 5.484896659851074, - 601.1446805000305, - 59.2496919631958 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Determined by GC or ^1H NMR. \\mark{b}Reproduced from Table 1. \\mark{c}Two iterations(sequential reactions).Conditions:0.05 mmol of substrate,3 equiv of SmI_2.In all entries,>95% yield based on recovered starting material.Entry 13,57.7% conv after first iteration; entry 14,56.9%.", - "bbox": [ - 5.093495350196349, - 585.8293552989716, - 617.7545731823848, - 102.11516851785314 - ] - } - ], - "reactions": [ - { - "id": "1332-rea1", - "reactants": [ - { - "id": "1332-rea1-rea-sub1", - "text": "\\iden{5}", - "maps": [ - { - "identifier": "5", - "smiles": "[#smiles#]C1(C=CC=CC=1)/C=C/C1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 120.95341844788868, - 84.99816173344269, - 107.89833756847344, - 67.37066931104681 - ] - } - ], - "conditions": [ - { - "id": "1332-rea1-con1", - "text": "SmI_2(H_2O)_n", - "maps": [], - "bbox": [ - 252.53675694602703, - 71.3134945296363, - 100.00333725858513, - 27.36933440761277 - ] - }, - { - "id": "1332-rea1-con2", - "text": "THF,rt", - "maps": [], - "bbox": [ - 273.0637577517366, - 118.15716303497355, - 61.0546690631362, - 22.632334221679784 - ] - } - ], - "products": [ - { - "id": "1332-rea1-pro-sub1", - "text": "", - "maps": [ - { - "identifier": "5a", - "smiles": "[#smiles#]C1(C=CC=CC=1)CCC1C=CC=CC=1[#smiles#]" - } - ], - "bbox": [ - 394.1204291700239, - 83.41916167146502, - 110.00367098444366, - 70.00233608100959 - ] - } - ], - "text": "", - "bbox": [ - 105.58734893798828, - 65.68121337890625, - 414.90599822998047, - 94.22384643554688 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1332-tab1", - "text": "", - "bbox": [ - 10.102574348449707, - 162.17483520507812, - 609.5984144210815, - 421.4437561035156 - ], - "data": [ - { - "id": "1332-tab1-c1", - 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"start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 468.0512944299382, - 471.93168979371296, - 35.20391654826045, - 22.779004825344998 - ] - }, - { - "id": "1332-tab1-c72", - "text": "35.1", - "start_row": "12", - "end_row": "12", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 550.8840392493746, - 471.4139851385915, - 36.757030513624954, - 22.779004825344998 - ] - }, - { - "id": "1332-tab1-c73", - "text": "12", - "start_row": "13", - "end_row": "13", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 22.2206156238689, - 499.5479579286431, - 23.677212113124465, - 22.62489157476341 - ] - }, - { - "id": "1332-tab1-c74", - "text": "\\textit{E}", - "start_row": "13", - "end_row": "13", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 99.04001492422829, - 499.5479579286431, - 22.09873130558283, - 21.572571036402337 - ] - }, - { - "id": "1332-tab1-c75", - "text": "10", - "start_row": "13", - "end_row": "13", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 201.1151123046875, - 497.969482421875, - 27.360321044921875, - 23.15106201171875 - ] - }, - { - "id": "1332-tab1-c76", - "text": "50", - "start_row": "13", - "end_row": "13", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 351.59694413088926, - 500.0741181978236, - 23.677212113124483, - 20.520250498041264 - ] - }, - { - "id": "1332-tab1-c77", - "text": "3 h", - "start_row": "13", - "end_row": "13", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 468.93068415815054, - 499.5479579286431, - 33.14809695837425, - 21.0464107672218 - ] - }, - { - "id": "1332-tab1-c78", - "text": "75.0", - "start_row": "13", - "end_row": "13", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 550.4855258811348, - 499.5479579286431, - 38.935859919360155, - 22.098731305582874 - ] - }, - { - "id": "1332-tab1-c79", - "text": "13\\refmark{c}", - "start_row": "14", - "end_row": "14", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 24.325256700591073, - 525.8559713876703, - 29.991135343290996, - 22.098731305582874 - ] - }, - { - "id": "1332-tab1-c80", - "text": "\\textit{E}", - "start_row": "14", - "end_row": "14", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 101.14465600095046, - 526.9082919260313, - 22.62489157476338, - 22.62489157476341 - ] - }, - { - "id": "1332-tab1-c81", - "text": "3", - "start_row": "14", - "end_row": "14", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 209.53367145214247, - 526.3821316568508, - 16.31096834459686, - 23.151051843943947 - ] - }, - { - "id": "1332-tab1-c82", - "text": "50", - "start_row": "14", - "end_row": "14", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 353.1754249384309, - 525.8559713876703, - 26.834173728207702, - 23.151051843943947 - ] - }, - { - "id": "1332-tab1-c83", - "text": "2 h", - "start_row": "14", - "end_row": "14", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 468.40452388897, - 526.9082919260313, - 34.20041749673533, - 22.098731305582874 - ] - }, - { - "id": "1332-tab1-c84", - "text": "74.9", - "start_row": "14", - "end_row": "14", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 549.4332053427737, - 525.8559713876703, - 42.618981803624024, - 22.098731305582874 - ] - }, - { - "id": "1332-tab1-c85", - "text": "14\\refmark{c}", - "start_row": "15", - "end_row": "15", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 23.79909643141053, - 552.1639848466975, - 29.464975074110452, - 23.67721211312437 - ] - }, - { - "id": "1332-tab1-c86", - "text": "\\textit{E}", - "start_row": "15", - "end_row": "15", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 99.56617736816406, - 554.7947998046875, - 22.098731994628906, - 20.52020263671875 - ] - }, - { - "id": "1332-tab1-c87", - "text": "3", - "start_row": "15", - "end_row": "15", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 208.48135091378137, - 554.7947861926002, - 19.99409022886067, - 22.098731305582874 - ] - }, - { - "id": "1332-tab1-c88", - "text": "100", - "start_row": "15", - "end_row": "15", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 341.59989901645895, - 554.2686259234197, - 39.98818045772134, - 22.09873130558276 - ] - }, - { - "id": "1332-tab1-c89", - "text": "2 h", - "start_row": "15", - "end_row": "15", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 467.35223388671875, - 554.7947998046875, - 36.305023193359375, - 21.57255744934082 - ] - }, - { - "id": "1332-tab1-c90", - "text": "92.7", - "start_row": "15", - "end_row": "15", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 548.9070450735932, - 554.7947861926002, - 40.514340726901764, - 21.046410767221687 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1333.json b/ChemTable/josn/1333.json deleted file mode 100644 index 7cbca2d57923069fc23f6f3cfcb61e84420b3bb2..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1333.json +++ /dev/null @@ -1,747 +0,0 @@ -{ - "id": "1333", - "source": "https://doi.org/10.1021/acs.joc.1c02616", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Optimization of Reaction Conditions \\color{blue}{\\refmark{a}}", - "bbox": [ - 5.5, - 5.5, - 438, - 36 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Standard conditions: undivided cell,C-SK50 anode and cathode constant current=10 mA, \\textbf{\\refiden{1a}}(0.4 mmol), Et_4NOTs(1.0 equiv),ACN/EtOH 1:1(0.08 M),rt,3h.\\mark{b}Isolated yield.\\mark{c}NR=no reaction.", - "bbox": [ - 6.489690780639648, - 549.230224609375, - 539.5189151763916, - 74.45361328125 - ] - } - ], - "reactions": [ - { - "id": "1333-rea1", - "reactants": [ - { - "id": "1333-rea1-rea-sub1", - "text": "\\iden{1a}", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#]C1(C2C=CC=CC=2NC1=O)(C)[H][#smiles#]" - } - ], - "bbox": [ - 57.47709252598777, - 72.96084764185339, - 121.69465577817702, - 124.44481749067818 - ] - } - ], - "conditions": [ - { - "id": "1333-rea1-con1", - "text": "electricity 10mA,3 h,rt", - "maps": [], - "bbox": [ - 202.54812286042477, - 44.77169008871634, - 138.8831664813094, - 86.63009394378703 - ] - }, - { - "id": "1333-rea1-con2", - "text": "Et_4NOTs(1 eq) ACN/EtOH 1:1(0.08 M)", - "maps": [], - "bbox": [ - 188.7973142979189, - 140.33980959813218, - 168.447404890697, - 48.127829968770556 - ] - } - ], - "products": [ - { - "id": "1333-rea1-pro-sub1", - "text": "\\iden{2a}", - "maps": [ - { - "identifier": "2a", - "smiles": "[#smiles#]CC1(C(=O)NC2C=CC=CC=21)OCC[#smiles#]" - } - ], - "bbox": [ - 365.49520432611945, - 72.27330721372809, - 128.57006005942992, - 125.81989834692877 - ] - } - ], - "text": "", - "bbox": [ - 44.45828101852748, - 43.270853122484404, - 467.1920385327174, - 158.5528170308728 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1333-tab1", - "text": "", - "bbox": [ - 13.951534271240234, - 202.56155395507812, - 523.1623573303223, - 346.5639343261719 - ], - "data": [ - { - "id": "1333-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 25.07846846168234, - 208.29813290997973, - 43.05701369099909, - 21.52850684549952 - ] - }, - { - "id": "1333-tab1-c2", - "text": "deviation from above", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 160.16984891719198, - 206.14528222542975, - 151.77597326077182, - 20.990294174362077 - ] - }, - { - "id": "1333-tab1-c3", - "text": "yield\\color{blue}{\\refmark{b}}(%)", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 424.4322704456989, - 203.9924315408798, - 84.49938936858575, - 26.372420885736943 - ] - }, - { - "id": "1333-tab1-c4", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 32.61344585760718, - 234.13234112457917, - 17.761018147537122, - 18.837443489812102 - ] - }, - { - "id": "1333-tab1-c5", - "text": "Pt cathode", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 111.19249584368053, - 234.13234112457917, - 82.88475135517324, - 21.52850684549955 - ] - }, - { - "id": "1333-tab1-c6", - "text": "40", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 410.9769592285156, - 234.67054748535156, - 24.757781982421875, - 19.913875579833984 - ] - }, - { - "id": "1333-tab1-c7", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 34.22808387101965, - 259.96654933917864, - 17.761018147537122, - 18.29923081867463 - ] - }, - { - "id": "1333-tab1-c8", - "text": "none", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.95998454164295, - 259.96654933917864, - 45.20986437554903, - 19.913868832087076 - ] - }, - { - "id": "1333-tab1-c9", - "text": "57(72% brsm)", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 411.5151663383992, - 257.8136986546287, - 111.41002292546017, - 22.604932187774523 - ] - }, - { - "id": "1333-tab1-c10", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 33.689871199882155, - 281.49505618467816, - 17.76101814753713, - 21.528506845499578 - ] - }, - { - "id": "1333-tab1-c11", - "text": "\\textit{n}Bu_4NOTs instead of Et_4NOTs", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.42177187050545, - 283.6479068692281, - 226.58753454888273, - 20.990294174362077 - ] - }, - { - "id": "1333-tab1-c12", - "text": "50", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 410.97695366726174, - 283.6479068692281, - 26.372420885736915, - 19.37565616094963 - ] - }, - { - "id": "1333-tab1-c13", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 35.443705735369754, - 307.96121309795984, - 17.778804229394552, - 18.714530767783742 - ] - }, - { - "id": "1333-tab1-c14", - "text": "\\textit{n}Bu_4NPF_6 instead of Et_4NOTs", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 109.36610226811553, - 307.96121309795984, - 225.0422324825995, - 21.521710382951255 - ] - }, - { - "id": "1333-tab1-c15", - "text": "39", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 412.0736374370175, - 307.49334982876525, - 21.053847113756717, - 19.182394036978337 - ] - }, - { - "id": "1333-tab1-c16", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 33.8377571105957, - 331.6139221191406, - 17.69884490966797, - 18.4998779296875 - ] - }, - { - "id": "1333-tab1-c17", - "text": "\\textit{n}Bu_4NClO_4 instead of Et_4NOTs", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.782998129048, - 332.9210400407763, - 222.73585334254466, - 20.463364618042988 - ] - }, - { - "id": "1333-tab1-c18", - "text": "22", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 410.7147326053617, - 331.7404613128123, - 27.5468369858271, - 19.28278589007897 - ] - }, - { - "id": "1333-tab1-c19", - "text": "6", - "start_row": "7", - "end_row": "7", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 33.716592142185455, - 355.35203587209264, - 19.676312132733628, - 18.495733404769624 - ] - }, - { - "id": "1333-tab1-c20", - "text": "AcOH (1 equiv.) as an additive", - "start_row": "7", - "end_row": "7", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.38947188639332, - 355.35203587209264, - 217.22648594537924, - 21.643943346007006 - ] - }, - { - "id": "1333-tab1-c21", - "text": "46", - "start_row": "7", - "end_row": "7", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 408.7471013920883, - 354.95850962943797, - 25.579205772553735, - 18.889259647424296 - ] - }, - { - "id": "1333-tab1-c22", - "text": "7", - "start_row": "8", - "end_row": "8", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 33.32306589953079, - 378.963610431373, - 17.708680919460264, - 18.889259647424296 - ] - }, - { - "id": "1333-tab1-c23", - "text": "AgPF_6 (1 equiv.) as an additive", - "start_row": "8", - "end_row": "8", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 112.81536691577463, - 378.17655794606367, - 218.80059091599793, - 23.61157455928037 - ] - }, - { - "id": "1333-tab1-c24", - "text": "32", - "start_row": "8", - "end_row": "8", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 412.1789130991817, - 379.0029145442449, - 22.988877299211538, - 19.359054567757028 - ] - }, - { - "id": "1333-tab1-c25", - "text": "8", - "start_row": "9", - "end_row": "9", - 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"start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 112.920194572604, - 427.8038646004658, - 235.1318502708825, - 20.972309115070175 - ] - }, - { - "id": "1333-tab1-c30", - "text": "29", - "start_row": "10", - "end_row": "10", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 412.9855403728383, - 428.6104918741223, - 22.585563662383265, - 20.16568184141363 - ] - }, - { - "id": "1333-tab1-c31", - "text": "10", - "start_row": "11", - "end_row": "11", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 36.30446720660076, - 451.26597389322933, - 21.25504788248316, - 20.116384603064432 - ] - }, - { - "id": "1333-tab1-c32", - "text": "15 mA instead of 10 mA", - "start_row": "11", - "end_row": "11", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.11312463354804, - 452.40463717264805, - 175.35414503048602, - 20.875493456010247 - ] - }, - { - "id": "1333-tab1-c33", - "text": "10", - "start_row": "11", - "end_row": "11", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 413.58156712067677, - 452.40463717264805, - 22.773265588374784, - 18.21861247069984 - ] - }, - { - "id": "1333-tab1-c34", - "text": "11", - "start_row": "12", - "end_row": "12", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 34.4066950742362, - 477.07567489338743, - 22.773265588374812, - 17.83905804422693 - ] - }, - { - "id": "1333-tab1-c35", - "text": "constant potential of 1.8 V for 28 h", - "start_row": "12", - "end_row": "12", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 112.2153549194336, - 476.3165588378906, - 253.54236602783203, - 21.63458251953125 - ] - }, - { - "id": "1333-tab1-c36", - "text": "53", - "start_row": "12", - "end_row": "12", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 410.54513170889345, - 476.3165660404416, - 24.29148329426647, - 20.116384603064432 - ] - }, - { - "id": "1333-tab1-c37", - "text": "12", - "start_row": "13", - "end_row": "13", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 34.78624950070911, - 500.987603761181, - 26.18925542663103, - 18.598166897172803 - ] - }, - { - "id": "1333-tab1-c38", - "text": "3 Å MS", - "start_row": "13", - "end_row": "13", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.49267906002096, - 499.0898316288164, - 60.72870823566616, - 22.77326558837484 - ] - }, - { - "id": "1333-tab1-c39", - "text": "37", - "start_row": "13", - "end_row": "13", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 410.5451354980469, - 500.9876403808594, - 25.05059814453125, - 19.357208251953125 - ] - }, - { - "id": "1333-tab1-c40", - "text": "13", - "start_row": "14", - "end_row": "14", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 37.06357605954659, - 524.5199782025016, - 20.116384603064418, - 19.736830176591525 - ] - }, - { - "id": "1333-tab1-c41", - "text": "no electricity", - "start_row": "14", - "end_row": "14", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 114.49267906002095, - 524.1404237760287, - 98.68415088295751, - 21.63460230895612 - ] - }, - { - "id": "1333-tab1-c42", - "text": "NR\\color{blue}{\\refmark{c}}", - "start_row": "14", - "end_row": "14", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 411.30424056183926, - 522.622206070137, - 36.437224941399734, - 21.63460230895612 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1334.json b/ChemTable/josn/1334.json deleted file mode 100644 index 37f1862e10cb64c248031c43ddbe25766b5aab18..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1334.json +++ /dev/null @@ -1,1067 +0,0 @@ -{ - "id": "1334", - "source": "https://doi.org/10.1021/acs.joc.2c00286", - "data": { - "title": [ - { - "type": "Table", - "index": "S1", - "text": "Optimization of the decarboxylation of dicarboxylic acid \\textbf{\\refiden{1}},contd.", - "bbox": [ - 13.104928457869683, - 11.987281399046104, - 638.9220985691574, - 32.36565977742448 - ] - } - ], - "annotations": [ - { - "text": "\\mark{(a)}\\textit{General conditions:} Dicarboxylic acid \\textbf{\\refiden{1}}(4.6 mM), catalyst, additives and solvent, were stirred at the indicated temperature under an inert atmosphere for 24 h.\\mark{(b)}Yield of the major product as determined by ^1H NMR analysis using 1-methoxynaphthalene as an internal standard.\\mark{(c)}For conditions ,see reference 2. \\mark{(d)}For conditions,see reference 3. \\mark{(e)}For conditions, see reference 4.\\mark{(f)}For conditions,see reference 5.", - "bbox": [ - 12.891752577319586, - 562.2611683848797, - 939.2611683848797, - 178.78350515463922 - ] - } - ], - "reactions": [ - { - "id": "1334-rea1", - "reactants": [ - { - "id": "1334-rea1-rea-sub1", - "text": "\\iden{1}", - "maps": [ - { - "identifier": "1", - "smiles": "[#smiles#]C(O)(=O)/C1/C2=CC=CC=C2/C(/C(O)=O)=C\\C2=CC=CC=C2\\C=1[#smiles#]" - } - ], - "bbox": [ - 159.60134887695312, - 115.3174819946289, - 143.81723022460938, - 97.45304107666016 - 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"bbox": [ - 457.2902228771333, - 308.7357390997819, - 72.51711505337806, - 25.05136701843969 - ] - }, - { - "id": "1334-tab1-c5", - "text": "Temp.(℃)", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 604.3021924853451, - 297.52854859153257, - 65.26540354804024, - 49.443487536394116 - ] - }, - { - "id": "1334-tab1-c6", - "text": "Selectivity\\textbf{\\refiden{2}:\\refiden{6}}", - "start_row": "1", - "end_row": "1", - "start_col": "6", - "end_col": "6", - "maps": [], - "bbox": [ - 693.5163135760512, - 295.52046819523025, - 96.91477060777413, - 49.803423784550546 - ] - }, - { - "id": "1334-tab1-c7", - "text": "Product,yield\\refmark{b}(%)", - "start_row": "1", - "end_row": "1", - "start_col": "7", - "end_col": "7", - "maps": [], - "bbox": [ - 815.3327960761005, - 296.86650667589373, - 93.54967440611529, - 51.82248150554591 - ] - }, - { - "id": "1334-tab1-c8", - "text": "1\\refmark{c}", - "start_row": "2", - "end_row": "2", - "start_col": "1", - 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"id": "1336", - "source": "https://doi.org/10.1021/acs.joc.2c00474", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Optimization of \\refiden{1a}/\\refiden{2a} Coupling in Conventional Solvents\\color{blue}{\\refiden{a}}", - "bbox": [ - 9.621622085571289, - 7.8903021812438965, - 582.75514793396, - 38.32432413101196 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}For the reaction, \\textbf{\\refiden{1a}}(0.1 mmol), \\textbf{\\refiden{2a}(0.13 mmol),1 mL of solvent,20 mol% additive(when present),and 10 mg of catalyst were placed in a 5 mL vial equipped with a magnetic bar and a balloon filled with air; the reaction mixture was stirred under 40W blue LED light for the time reported. \\mark{b}Conversion of \\textbf{\\refiden{1a}} and yields were determined by ^1H NMR using durene as an internal standard. \\mark{c}Reaction performed with a 10W fluorescent light bulb. \\mark{d} Reaction performed with 10W blue LED light. \\mark{e}With 10 mol% additive. \\mark{f}Reaction performed in the dark.\\mark{g}Reaction performed under argon.", - 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} - ], - "reactions": [ - { - "id": "1337-rea1", - "reactants": [ - { - "id": "1337-rea1-rea-sub1", - "text": "\\iden{1a•HCl}", - "maps": [ - { - "identifier": "1a•HCl", - "smiles": "[#smiles#][H][N+](CCC1=CC=CC=C1C#C)(CCC)[H].[Cl-][#smiles#]" - } - ], - "bbox": [ - 160, - 100.5, - 200, - 150 - ] - } - ], - "conditions": [ - { - "id": "1337-rea1-con1", - "text": "4-Pic-\\textit{N}-oxide(2 equiv.)", - "maps": [], - "bbox": [ - 358, - 78.5, - 295, - 31 - ] - }, - { - "id": "1337-rea1-con2", - "text": "CpRuCl(PPh_3)_2(10 mol%)", - "maps": [], - "bbox": [ - 381.5, - 110, - 250, - 30 - ] - }, - { - "id": "1337-rea1-con3", - "text": "KPF_6(1 equiv.), Base(0.3 equiv)", - "maps": [], - "bbox": [ - 351.5, - 138, - 306, - 30 - ] - }, - { - "id": "1337-rea1-con4", - "text": "DCE,100℃", - "maps": [], - "bbox": [ - 439, - 171.5, - 137, - 29 - ] - } - ], - "products": [ - { - "id": "1337-rea1-pro-sub1", - "text": "\\iden{2a}", - "maps": [ - { - "identifier": "2a", - "smiles": "[#smiles#]N1(CCC2=CC=CC=C2CC1=O)CCC[#smiles#]" - } - ], - "bbox": [ - 671, - 115.5, - 165, - 135 - ] - } - ], - "text": "", - "bbox": [ - 138, - 60.5, - 735, - 196 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1337-tab1", - "text": "", - "bbox": [ - 137, - 269.5, - 754, - 205 - ], - "data": [ - { - "id": "1337-tab1-c1", - "text": "Entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 164.0849420849424, - 275.54247104247116, - 64.28571428571425, - 27.857142857142833 - ] - }, - { - "id": "1337-tab1-c2", - "text": "Bases", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 446.2277992277993, - 274.8281853281855, - 68.57142857142856, - 24.28571428571422 - ] - }, - { - "id": "1337-tab1-c3", - "text": "Product \\textbf{\\refiden{2a}} \\refmark{c}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 723.3706563706562, - 273.39961389961405, - 129.28571428571422, - 30.714285714285666 - ] - }, - { - "id": "1337-tab1-c4", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 181.94208494208527, - 309.1138996138997, - 31.428571428571388, - 25.714285714285722 - ] - }, - { - "id": "1337-tab1-c5", - "text": "K_2CO_3", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 439.7992277992279, - 306.9710424710426, - 84.28571428571422, - 31.428571428571388 - ] - }, - { - "id": "1337-tab1-c6", - "text": "58%", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 756.9420849420848, - 307.6853281853283, - 55.714285714285666, - 27.142857142857167 - ] - }, - { - "id": "1337-tab1-c7", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 183.3706512451172, - 337.6853332519531, - 25.000015258789062, - 30 - ] - }, - { - "id": "1337-tab1-c8", - "text": "-", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 465.5135135135136, - 346.97104247104255, - 29.999999999999943, - 19.285714285714278 - ] - }, - { - "id": "1337-tab1-c9", - "text": "SM", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 759.0849420849419, - 339.1138996138997, - 45.714285714285666, - 30.714285714285666 - ] - }, - { - "id": "1337-tab1-c10", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 184.0849420849424, - 373.39961389961394, - 22.857142857142833, - 27.14285714285711 - ] - }, - { - "id": "1337-tab1-c11", - "text": "Cs_2CO_3", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 438.3706563706565, - 371.97104247104255, - 84.28571428571416, - 32.14285714285711 - ] - }, - { - "id": "1337-tab1-c12", - "text": "46%", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 755.5134887695312, - 373.3996276855469, - 55, - 28.5714111328125 - ] - }, - { - "id": "1337-tab1-c13", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 184.79922779922813, - 404.11389961389966, - 22.857142857142833, - 27.857142857142833 - ] - }, - { - "id": "1337-tab1-c14", - "text": "Et_3N", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 450.70249949197324, - 405.5400969632074, - 61.76470588235287, - 27.35294117647055 - ] - }, - { - "id": "1337-tab1-c15", - "text": "34%", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 756.8789700802084, - 406.4224499043839, - 52.05882352941171, - 28.235294117647015 - ] - }, - { - "id": "1337-tab1-c16", - "text": "5\\refmark{b}", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 180.70249949197333, - 437.30480284556035, - 30.882352941176464, - 29.11764705882348 - ] - }, - { - "id": "1337-tab1-c17", - "text": "Pyridine", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 433.0554406684438, - 439.0695087279133, - 93.52941176470586, - 30.882352941176464 - ] - }, - { - "id": "1337-tab1-c18", - "text": "CM\\refmark{d}", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 755.996617139032, - 438.1871557867368, - 52.941176470588175, - 29.11764705882348 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1338.json b/ChemTable/josn/1338.json deleted file mode 100644 index 1d1081a80a72ffd1a02928dfa3df58a44c83f87b..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1338.json +++ /dev/null @@ -1,766 +0,0 @@ -{ - "id": "1338", - "source": "https://doi.org/10.1021/acs.joc.3c00705", - "data": { - "title": [ - { - "type": "Table", - "index": "S1", - "text": "Optimization of the base", - "bbox": [ - 12, - 6.5, - 297.77777099609375, - 31.88888931274414 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Isolated yields of all four diastereomers; \\mark{b}dr was determined by the crude ^1H NMR, dr=[(\\textit{S,S})+(\\textit{R,R})]:[(\\textit{S,R})+(\\textit{R,S})]; \\mark{c}er was determined by HPLC.", - "bbox": [ - 14, - 462.5, - 772, - 54 - ] - } - ], - "reactions": [ - { - "id": "1338-rea1", - "reactants": [ - { - "id": "1338-rea1-rea-sub1", - "text": "\\iden{1}", - "maps": [ - { - "identifier": "1", - "smiles": "[#smiles#]C1(C(CC2C(=C(C=CC=2)OC)F)=CC2C=C(C=CC=2N=1)Br)OC[#smiles#]" - } - ], - "bbox": [ - 67.89189147949219, - 58.554054260253906, - 132.9729766845703, - 158.49420928955078 - ] - }, - { - "id": "1338-rea1-rea-sub2", - "text": "\\iden{2}", - "maps": [ - { - "identifier": "2", - "smiles": "[#smiles#]O=C(CCN(C)C)C1C=C(OC)N=C(C=1)OC[#smiles#]" - } - ], - "bbox": [ - 240.59458923339844, - 64.22972869873047, - 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{ - "id": "1338-rea1-pro-sub1", - "text": "\\impIden{3}(\\textit{S,S})-TBAJ-587", - "maps": [ - { - "identifier": "3", - "smiles": "[#smiles#]O(C)C1C=CC=C(C=1F)[C@@H]([C@](C1C=C(OC)N=C(C=1)OC)(CCN(C)C)O)C1=CC2C(=CC=C(C=2)Br)N=C1OC[#smiles#]" - } - ], - "bbox": [ - 522.7567567567568, - 46.391891891892136, - 199.45945945945925, - 172.7027027027026 - ] - } - ], - "text": "", - "bbox": [ - 57, - 45.5, - 697, - 176 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1338-tab1", - "text": "", - "bbox": [ - 54.85714340209961, - 227.92857360839844, - 677.4287452697754, - 235.99998474121094 - ], - "data": [ - { - "id": "1338-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 81.90255561684168, - 236.98207391064545, - 46.530612244897895, - 23.877551020408134 - ] - }, - { - "id": "1338-tab1-c2", - "text": "base", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 232.51480051480067, - 235.7575841147271, - 42.857142857142804, - 21.428571428571416 - ] - }, - { - "id": "1338-tab1-c3", - "text": "yield(%)\\refmark{a}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 372.7188821474536, - 234.53309431880874, - 86.93877551020398, - 26.938775510204067 - ] - }, - { - "id": "1338-tab1-c4", - "text": "dr\\refmark{b}", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 515.9841882699025, - 233.30860452289036, - 39.79591836734687, - 29.387755102040785 - ] - }, - { - "id": "1338-tab1-c5", - "text": "er\\refmark{c}", - "start_row": "1", - "end_row": "1", - "start_col": "5", - "end_col": "5", - "maps": [], - "bbox": [ - 647.0045964331675, - 234.53309431880874, - 32.448979591836746, - 26.938775510204067 - ] - }, - { - "id": "1338-tab1-c6", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 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"id": "1344", - "source": "https://doi.org/10.1021/acs.joc.2c00474", - "data": { - "title": [ - { - "type": "Table", - "index": "2", - "text": "Optimization of \\refiden{1a}/\\refiden{2a} Coupling in Sustainable Solvents Promoted by mpg-CN\\color{blue}{\\refmark{a}}", - "bbox": [ - 20.073333740234375, - 11.684444427490234, - 534.2977600097656, - 55.23555374145508 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}For the reaction, \\textbf{\\refiden{1a}}(0.1 mmol), \\textbf{\\refiden{2a}}(0.13 mmol),1 mL of solvent,and 10 mg of catalyst were placed in a 5 mL vial equipped with a magnetic bar and a balloon filled with air;the reaction mixture was stirred under 40 W blue LED light for the time reported.\\mark{b} Conversion of \\textbf{\\refiden{1a}} and yields of \\textbf{\\refiden{3aa}} and \\textbf{\\refiden{4}}-\\textbf{\\refiden{6}} were determined by ^1H NMR using durene as an internal standard.\\mark{c}Reaction performed with \\textbf{\\refiden{1a}} (0.13 mmol) and \\textbf{\\refiden{2a}}(0.1 mmol). \\mark{d}Reaction performed with 20 W blue LED light.\\mark{e}Reaction performed with 10 W blue LED light.\\mark{f}Reaction performed with 5 mg of mpg-CN.\\mark{g}Reaction performed with 15 mg of mpg-CN.", - 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42.738855707621155, - 478.5135639512255, - 27.19999999999999, - 18.80000000000001 - ] - }, - { - "id": "1347-tab1-c46", - "text": "H_2O", - "start_row": "12", - "end_row": "12", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 137.93885803222656, - 477.7135314941406, - 41.35319519042969, - 23.514923095703125 - ] - }, - { - "id": "1347-tab1-c47", - "text": "0\\color{blue}{\\refmark{b}}", - "start_row": "12", - "end_row": "12", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 305.138855707621, - 474.5135639512255, - 25.19999999999999, - 24.400000000000034 - ] - }, - { - "id": "1347-tab1-c48", - "text": "1", - "start_row": "12", - "end_row": "12", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 474.33885570762095, - 476.1135639512255, - 18.400000000000034, - 21.599999999999966 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1348.json b/ChemTable/josn/1348.json deleted file mode 100644 index 2b86c4826fd8027fa51acbc018e6197a1a18e258..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1348.json +++ /dev/null @@ -1,313 +0,0 @@ -{ - "id": "1348", - "source": "https://doi.org/10.1021/acs.joc.1c02425", - "data": { - "title": [ - { - "type": "Table", - "index": "2", - "text": "Optimizing Workup and Purification", - "bbox": [ - 12.5, - 5.5, - 483.5714416503906, - 27.8125 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Isolated yield.", - "bbox": [ - 9.5, - 490.5, - 148, - 33 - ] - } - ], - "reactions": [ - { - "id": "1348-rea1", - "reactants": [ - { - "id": "1348-rea1-rea-sub1", - "text": "\\iden{12}(1 equiv.)", - "maps": [ - { - "identifier": "12", - "smiles": "[#smiles#]C1(C=CC=CC=1)C1C2=C(C3=C(C=C2)C(=CC=N3)C2C=CC=CC=2)N=CC=1[#smiles#]" - } - ], - "bbox": [ - 57.32099014776659, - 39.52914638090494, - 175.93220338983025, - 120.508474576271 - ] - }, - { - "id": "1348-rea1-rea-sub2", - "text": "\\iden{13}(5 equiv.)", - "maps": [ - { - "identifier": "13", - "smiles": "[#smiles#]N(C1C=CC(=CC=1)C(C)(C)C)C(C(=O)O)=O[#smiles#]" - } - ], - "bbox": [ - 40.54132843017578, - 162.57998657226562, - 212.9830551147461, - 119.93222045898438 - ] - } - ], - "conditions": [ - { - "id": "1348-rea1-con1", - "text": "(NH_4)_2S_2O_8(6 equiv.)", - "maps": [], - "bbox": [ - 240.37183760539344, - 75.12236671988794, - 102.71186440677948, - 49.32203389830501 - ] - }, - { - "id": "1348-rea1-con2", - "text": "DMSO:H_2O(600:1),50 ℃ 24 h", - "maps": [], - "bbox": [ - 243.93115963929174, - 137.15626502497258, - 102.20338983050826, - 84.40677966101683 - ] - } - ], - "products": [ - { - "id": "1348-rea1-pro-sub1", - "text": "\\iden{14}", - "maps": [ - { - "identifier": "14", - "smiles": "[#smiles#]N(C1C=CC(=CC=1)C(C)(C)C)C(C1C=C(C2C=CC3=C(C=2N=1)N=C(C(=O)NC1C=CC(=CC=1)C(C)(C)C)C=C3C1C=CC=CC=1)C1C=CC=CC=1)=O[#smiles#]" - } - ], - "bbox": [ - 329.3548889160156, - 40.037620544433594, - 262.8813781738281, - 234.9152603149414 - ] - } - ], - "text": "", - "bbox": [ - 33.5, - 37.5, - 565, - 248 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1348-tab1", - "text": "", - "bbox": [ - 14.415254592895508, - 292.5, - 608.08482837677, - 198 - ], - "data": [ - { - "id": "1348-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 20.045740917908706, - 315.33190284276134, - 49.830508474576206, - 24.406779661016913 - ] - }, - { - "id": "1348-tab1-c2", - "text": "note", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 290.0457409179083, - 318.89122487665963, - 46.77966101694909, - 20.33898305084739 - ] - }, - { - "id": "1348-tab1-c3", - "text": "yield(%)\\color{blue}{\\refmark{a}}", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 565.1304866806197, - 292.95902148682916, - 54.40677966101691, - 49.83050847457622 - ] - }, - { - "id": "1348-tab1-c4", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 31.232181595874792, - 346.85732657157484, - 23.89830508474573, - 21.355932203389784 - ] - }, - { - "id": "1348-tab1-c5", - "text": "washed with NaHCO_3,extracted with CH_2Cl_2,column chromatography.", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 77.50336803655269, - 344.3149536902189, - 445.9322033898298, - 48.305084745762656 - ] - }, - { - "id": "1348-tab1-c6", - "text": "17", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 579.3677748162129, - 345.84037741903245, - 27.96610169491521, - 25.932203389830477 - ] - }, - { - "id": "1348-tab1-c7", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 30.723707019603605, - 393.1285130122527, - 23.898305084745726, - 24.91525423728814 - ] - }, - { - "id": "1348-tab1-c8", - "text": "diluted with water,precipitate was filtered, column chromatography.", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 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"end_col": "3", - "maps": [], - "bbox": [ - 579.3677748162129, - 440.9251231817442, - 28.474576271186493, - 29.999999999999943 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1349.json b/ChemTable/josn/1349.json deleted file mode 100644 index af9d5d9aa585e476ec61a5f4deaed39f7335ac73..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1349.json +++ /dev/null @@ -1,1397 +0,0 @@ -{ - "id": "1349", - "source": "https://doi.org/10.1021/acs.joc.2c00286", - "data": { - "title": [ - { - "type": "Table", - "index": "1", - "text": "Optimization of the Decarboxylation of Dicarboxylic Acid \\refiden{1}\\color{blue}{\\refmark{a}}", - "bbox": [ - 9.5, - 8.5, - 646, - 31 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}General conditions: dicarboxylic acid \\textbf{\\refiden{1}}(4.6 mM), catalyst,and additive were dissolved in \\textit{N}-methyl-2-pyrrolidone and heated to the indicated temperature under an inert atmosphere for 24 h. \\mark{b}Yield of the major product as determined by ^1H NMR spectroscopy using 1-methoxynaphthalene as an internal standard.\\mark{c}Isolated yield:100 mg scale.\\mark{d}Isolated yield:3.0 g scale.\\mark{e}Reaction conducted under an air atmosphere;\\mark{f}For conditions,see ref \\color{blue}{\\refiden{59}}.\\mark{g}For conditions,see ref \\color{blue}{\\refiden{58}}.", - 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"id": "1350", - "source": "https://doi.org/10.1021/acs.joc.2c02770", - "data": { - "title": [ - { - "type": "Table", - "index": "S1g", - "text": "Temperature optimization.\\refmark{a}", - "bbox": [ - 3.4285714626312256, - 14, - 410.4285452365875, - 32.57143020629883 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Reaction conditions:0.2 mmol of \\textbf{\\refiden{1a}•HCl} and 2 mL of DCE in a sealed tube.\\mark{b} NMR yields are given using tetrachloroethane as internal standard.\\mark{c}Isolated yield.", - "bbox": [ - 74.02995143971464, - 375.46261501566175, - 831.176470588235, - 58.235294117647015 - ] - } - ], - "reactions": [ - { - "id": "1350-rea1", - "reactants": [ - { - "id": "1350-rea1-rea-sub1", - "text": "\\iden{1a}•HCl", - "maps": [ - { - "identifier": "1a", - "smiles": "[#smiles#][H][N+](CCC1=CC=CC=C1C#C)(CCC)[H].[Cl-][#smiles#]" - } - ], - "bbox": [ - 134.75979614257812, - 91.15332794189453, - 215.28573608398438, - 152.14286041259766 - ] - } - ], - "conditions": [ - 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CpRuCl(PPh_3)_2(3 mol%) KPF_6(1 equiv.),K_2CO_3(0.3 equiv.)", - "maps": [], - "bbox": [ - 329.7598030375721, - 66.1533303261765, - 322.8571428571426, - 94.28571428571419 - ] - }, - { - "id": "1350-rea1-con2", - "text": "DCE,T", - "maps": [], - "bbox": [ - 451.18837446614344, - 164.72475889760497, - 77.14285714285705, - 29.285714285714278 - ] - } - ], - "products": [ - { - "id": "1350-rea1-pro-sub1", - "text": "\\iden{2a}", - "maps": [ - { - "identifier": "2a", - "smiles": "[#smiles#]N1(CCC2=CC=CC=C2CC1=O)CCC[#smiles#]" - } - ], - "bbox": [ - 664.045517323286, - 114.01047318331932, - 175.71428571428555, - 127.14285714285701 - ] - } - ], - "text": "", - "bbox": [ - 107.5593632044205, - 56.05085030977953, - 768.5294117647056, - 193.235294117647 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1350-tab1", - "text": "", - "bbox": [ - 105.79465732206756, - 264.2861444274265, - 752.6470588235292, - 110.29411764705878 - ], - "data": [ - { - "id": "1350-tab1-c1", - "text": "Entry", - 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"bbox": [ - 126.30362701416016, - 348.4634094238281, - 29.636375427246094, - 26 - ] - }, - { - "id": "1350-tab1-c14", - "text": "ta", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 341.94000244140625, - 352.00885009765625, - 39.45452880859375, - 22.81817626953125 - ] - }, - { - "id": "1350-tab1-c15", - "text": "24", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 552.39453125, - 350.9179382324219, - 34.90911865234375, - 24 - ] - }, - { - "id": "1350-tab1-c16", - "text": "SM", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 736.6449886067194, - 352.07781423109856, - 44.727272727272634, - 22.363636363636374 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/josn/1351.json b/ChemTable/josn/1351.json deleted file mode 100644 index 417e9be589012c484c0af3541541b2dc7ca1e4fd..0000000000000000000000000000000000000000 --- a/ChemTable/josn/1351.json +++ /dev/null @@ -1,493 +0,0 @@ -{ - "id": "1351", - "source": "https://doi.org/10.1021/acs.joc.3c00675", - "data": { - "title": [ - { - "type": "Table", - "index": "S2", - "text": "Optimization of Boc-Trp(Boc)-H (\\textbf{\\refiden{1e}})and Acetylacetone(\\textbf{\\refiden{2a}}) \\refmark{a}", - "bbox": [ - 29.5, - 6, - 774, - 35 - ] - } - ], - "annotations": [ - { - "text": "\\mark{a}Reactions performed with Boc-Trp(Boc)-H(0.300 mmol)and acetylacetone(0.300 mmol)at the indicated temperature for 6 h. \\mark{b}Yields reported as quantitative NMR yields using dimethyl terephthalate as internal standard.", - "bbox": [ - 21.5, - 562, - 1059, - 87 - ] - } - ], - "reactions": [ - { - "id": "1351-rea1", - "reactants": [ - { - "id": "1351-rea1-rea-sub1", - "text": "\\impIden{a1}", - "maps": [ - { - "identifier": "a1", - "smiles": "[#smiles#][H]C([C@H](CC1C2C=CC=CC=2N(C=1)C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)=O[#smiles#]" - } - ], - "bbox": [ - 166.08168022118832, - 66.59253949966025, - 189.2857142857141, - 162.142857142857 - ] - }, - { - "id": "1351-rea1-rea-sub2", - "text": "\\impIden{a2}", - "maps": [ - { - "identifier": "a2", - "smiles": "[#smiles#]O=C(CC(=O)C)C[#smiles#]" - } - ], - "bbox": [ - 394.98333740234375, - 98.07494354248047, - 100.71429443359375, - 113.57142639160156 - ] - } - ], - "conditions": [ - { - "id": "1351-rea1-con1", - "text": "Lewis Acid(X mol%) Bronsted Acid(X mol%)", - "maps": [], - "bbox": [ - 544.2690524673837, - 67.36065215012586, - 119.99999999999989, - 77.14285714285707 - ] - }, - { - "id": "1351-rea1-con2", - "text": "1,4-Dioxane:H_2O(2:1) 60℃", - "maps": [], - "bbox": [ - 528.5547667530981, - 153.07493786441148, - 159.2857142857141, - 62.14285714285708 - ] - } - ], - "products": [ - { - "id": "1351-rea1-pro-sub1", - "text": "\\impIden{a3}", - "maps": [ - { - "identifier": "a3", - "smiles": "[#smiles#]O=C(C1C=C(CC2=CN(C3C=CC=CC=32)C(=O)OC(C)(C)C)N(C=1C)C(=O)OC(C)(C)C)C[#smiles#]" - } - ], - "bbox": [ - 719.2690524673836, - 83.78922357869726, - 220.71428571428555, - 130.7142857142856 - ] - } - ], - "text": "", - "bbox": [ - 154.5, - 59, - 801, - 170 - ] - } - ], - "substances": [], - "tables": [ - { - "id": "1351-tab1", - "text": "", - "bbox": [ - 212.5, - 226, - 670.3333129882812, - 335.66668701171875 - ], - "data": [ - { - "id": "1351-tab1-c1", - "text": "entry", - "start_row": "1", - "end_row": "1", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 220.58299711294717, - 230.47773582638024, - 73.99999999999994, - 25.999999999999943 - ] - }, - { - "id": "1351-tab1-c2", - "text": "Lewis Acid", - "start_row": "1", - "end_row": "1", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 330.58299711294706, - 229.81106915971355, - 118.66666666666652, - 25.99999999999997 - ] - }, - { - "id": "1351-tab1-c3", - "text": "Bronsted Acid", - "start_row": "1", - "end_row": "1", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 512.5829971129469, - 232.47773582638024, - 147.99999999999977, - 23.333333333333286 - ] - }, - { - "id": "1351-tab1-c4", - "text": "Yield\\refmark{b}", - "start_row": "1", - "end_row": "1", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 753.2496637796132, - 227.1444024930469, - 70, - 30.666666666666657 - ] - }, - { - "id": "1351-tab1-c5", - "text": "1", - "start_row": "2", - "end_row": "2", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 244.9779550961404, - 261.1395005322627, - 25.17857142857136, - 29.999999999999943 - ] - }, - { - "id": "1351-tab1-c6", - "text": "ZrOCl_2^*8H_2O(10 mol%)", - "start_row": "2", - "end_row": "2", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 319.9779550961403, - 260.06807196083406, - 140.35714285714266, - 55.17857142857139 - ] - }, - { - "id": "1351-tab1-c7", - "text": "Amberlyst-15(10 mol%)", - "start_row": "2", - "end_row": "2", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 514.4422408104257, - 260.06807196083406, - 145.17857142857122, - 55.714285714285666 - ] - }, - { - "id": "1351-tab1-c8", - "text": "59%", - "start_row": "2", - "end_row": "2", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 758.1922408104253, - 261.67521481797695, - 57.321428571428555, - 26.249999999999943 - ] - }, - { - "id": "1351-tab1-c9", - "text": "2", - "start_row": "3", - "end_row": "3", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 244.97795509614042, - 322.7466433894054, - 24.64285714285711, - 30 - ] - }, - { - "id": "1351-tab1-c10", - "text": "ZrCl_4(10 mol%)", - "start_row": "3", - "end_row": "3", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 334.9779550961403, - 321.13950053226256, - 110.35714285714266, - 56.24999999999994 - ] - }, - { - "id": "1351-tab1-c11", - "text": "Amberlyst-15(10 mol%)", - "start_row": "3", - "end_row": "3", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 515.5136693818544, - 322.2109291036911, - 143.035714285714, - 55.17857142857133 - ] - }, - { - "id": "1351-tab1-c12", - "text": "36%", - "start_row": "3", - "end_row": "3", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 763.5493836675682, - 320.6037862465483, - 50.357142857142776, - 28.39285714285711 - ] - }, - { - "id": "1351-tab1-c13", - "text": "3", - "start_row": "4", - "end_row": "4", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 244.97795509614042, - 381.13950053226245, - 22.499999999999943, - 27.321428571428555 - ] - }, - { - "id": "1351-tab1-c14", - "text": "-", - "start_row": "4", - "end_row": "4", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 379.4422408104259, - 387.0323576751196, - 25.178571428571388, - 17.14285714285711 - ] - }, - { - "id": "1351-tab1-c15", - "text": "Amberlyst-15(10 mol%)", - "start_row": "4", - "end_row": "4", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 516.0493836675686, - 381.6752148179768, - 143.57142857142833, - 55.71428571428561 - ] - }, - { - "id": "1351-tab1-c16", - "text": "5%", - "start_row": "4", - "end_row": "4", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 765.6922408104253, - 379.5323576751196, - 47.678571428571445, - 30.53571428571422 - ] - }, - { - "id": "1351-tab1-c17", - "text": "4", - "start_row": "5", - "end_row": "5", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 240.02042144849236, - 439.048604393962, - 26.66666666666663, - 28.888888888888857 - ] - }, - { - "id": "1351-tab1-c18", - "text": "ZrOCl_2*8H_2O(10 mol%)", - "start_row": "5", - "end_row": "5", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 322.79819922627, - 440.7152710606287, - 141.66666666666646, - 57.22222222222217 - ] - }, - { - "id": "1351-tab1-c19", - "text": "Acetic Acid(10 mol%)", - "start_row": "5", - "end_row": "5", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 530.020421448492, - 441.27082661618425, - 117.22222222222206, - 56.11111111111103 - ] - }, - { - "id": "1351-tab1-c20", - "text": "30%", - "start_row": "5", - "end_row": "5", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 760.0204467773438, - 440.71527099609375, - 52.77777099609375, - 28.888885498046875 - ] - }, - { - "id": "1351-tab1-c21", - "text": "5", - "start_row": "6", - "end_row": "6", - "start_col": "1", - "end_col": "1", - "maps": [], - "bbox": [ - 245.02042144849236, - 502.3819377272953, - 21.111111111111086, - 26.66666666666663 - ] - }, - { - "id": "1351-tab1-c22", - "text": "ZrOCl_2*8H_2O(10 mol%)", - "start_row": "6", - "end_row": "6", - "start_col": "2", - "end_col": "2", - "maps": [], - "bbox": [ - 321.1315325596034, - 501.2708266161842, - 139.44444444444423, - 56.11111111111097 - ] - }, - { - "id": "1351-tab1-c23", - "text": "TFA(10 mol%)", - "start_row": "6", - "end_row": "6", - "start_col": "3", - "end_col": "3", - "maps": [], - "bbox": [ - 531.1315307617188, - 501.2708435058594, - 112.77777099609375, - 57.222198486328125 - ] - }, - { - "id": "1351-tab1-c24", - "text": "56%", - "start_row": "6", - "end_row": "6", - "start_col": "4", - "end_col": "4", - "maps": [], - "bbox": [ - 758.353759765625, - 502.9375, - 60.5555419921875, - 27.77777099609375 - ] - } - ] - } - ] - } -} \ No newline at end of file diff --git a/ChemTable/question/anno_qa.jsonl b/ChemTable/question/anno_qa.jsonl deleted file mode 100644 index 1c6abb9400c5928be66c7edb990ed7c5dad8900c..0000000000000000000000000000000000000000 --- a/ChemTable/question/anno_qa.jsonl +++ /dev/null @@ -1,52 +0,0 @@ -{"question": "What are the annotations of this table?", "answer": "Conditions:0.5 mmol 1a, 1.0 mmol 2aa, 0.5 mL solvent, 60℃，16 h,4 mol% Pd.Yields were determined using gas chromatography analysis with tetradecane as internal standard. a)24 h. b)8 h.", "id": "131.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "An oven-dried 20 mL vial was charged with Pd catalyst (4 mol%) and sealed with a septum cap. After the vial was fushed with three alternating vacuum and argon purge cycles, anisole chloride (0.50 mmol, 1.0 eq.), aryl lithium species (1.0 mmol, 2 eq.), the internal standard and dioxane/toluene (were added via syringe. The resulting mixture was stirred at 60 ℃ for 8 h. The reactions were analyzed using GC-FID.", "id": "134.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a]Yields determined by GC analysis using mesitylene as internal standard. DlPEA=N,N-diisopropylethylamine, TEA= triethyl amine.“The yield in the parentheses is that of the isolated product\".", "id": "135.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "Reaction conditions: 1a (1.0 mmol), 2a (4.0 mmol), [Pd](1.0 mol%), L16(4.0 mol%), co-cat. acid (8.0 or 16 mol%), CO (40 bar), solvent (2.0 mL), 100℃, 20 h. The conversion of 1a, yields of 3 and 4aa, and ratios of isomers were determined by GC analysis using isooctane as the internal standard.", "id": "1301.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a]All reactions were performed on a 0.20 mmol scale; MeOH was used as the proton source except in entries l and 8. [b] Determined by ^1H NMR spectroscopy with CH_2Br_2 as an internal standard. [c]Determined by HPLC analysis on a chiral stationary phase. [d]93 % yield and 92% ee were obtained on a 1.0-mmol scale. [e] Isolated yield after purification by flash chromatography on silica gel.", "id": "1302.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a] All reactions were performed on a 0.20 mmol scale. [b] Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. [c] Determined by HPLC analysis on a chiral stationary phase. n.d. = not detected.", "id": "1303.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a] All reactions were performed on a 0.20 mmol scale. [b] Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. [c] Determined by HPLC analysis on a chiral stationary phase. [d]MeOH:H_2O (1:1, 2.0 equiv) as proton source. [e] Isolated yield after flash chromatography on silica gel. n.d.= not detected.", "id": "1304.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a] All reactions were performed on a 0.20 mmol scale. [b] Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. [c] Determined by HPLC analysis on a chiral stationary phase. [d] Ar = 3,5-Ditrifluoromethylphenyl", "id": "1305.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a] All reactions were performed on a 0.20 mmol scale. [b] Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. [c] Determined by HPLC analysis on a chiral stationary phase.", "id": "1306.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a] All reactions were performed outside the glove box on a 0.10 mmol scale. [b] Yield was determined by ^1H NMR analysis with CH_2Br_2 as an internal standard. [c] Determined by HPLC analysis on a chiral stationary phase. [d] NaOMe was quickly weighed out outside the glovebox and then returned for storage.", "id": "1307.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a] BET surface area (SA_{BET}) calculated from N_2 adsorption isotherm obtained at 77 K. [b]CO_2 uptakes at 1 bar and 273 K.[c]Total free volume (V_{Total}) estimated from N_2 adsorption at p/p_0=0.98. [d]Young's modulus of membranes measured by atomic force microscopy (AFM). [e]From GPC analysis relative to polystyrene standards. [f]Not measured due to insolubility in an appropriate solvent for GPC. [g]Partially soluble in quinoline.", "id": "1308.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "Reactions were run on a 0.1 mmol scale in 1 mL of solvent[0.1 M] using 10 mol% of catalst. [a]Yield and selectivity of 2a and 3a was determined by ^1H NMR from the crude reaction mixture using mesitylene as an internal standard.[b]Atmospheric oxygen was used as the terminal oxidant. [c]The reaction was run without the addition of water and under an Ar atmosphere. [d]Reaction was run with 5 mol% catalyst and stopped after 3 h.", "id": "1309.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "Reactions were run on 0.20 mmol scale in 2 mL solvent (0.1 M) using 10 mol% catalyst, 11 mol% ligand,1.00 eg. tBuONO and 30.0 eq. water. aReaction run for 4h. bReaction run for 18 h. cReaction performed without addition of catalyst. dDetermined via ^1H-NMR analysis using mesitylene as internal standard.", "id": "1310.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "Reactions were run on 0.20 mmol scale in 2 mL solvent (0.1M ) using 10 mol% catalyst, 11 mol% ligand, 11 mol% AgClO_4xH_2O, 1.00 eq. tBuONO and 30.0 eq. water. aDetermined via ^1H-NMR analysis using mesitylene as internal standard. bThe enantiomeric ratio was determined via HPLC using a chiral stationary phase (detailed conditions see corresponding entry in chapter 5.3).", "id": "1311.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "[a]Initial molar ratio between substituent and Mn precursor was 0.025 to 1, except for Mn_3O_4:Sr (0.05) where the ratio was 0.05 to 1.", "id": "1314.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aConversion was determined by TLC and ^1H NMR spectroscopy of the reaction solution. bStarting material 11 detected in ^1H NMR spectrum. cdec: decomposition; no signals of 12af or 11a visible in ^1H NMR spectrum. dSignals for 11a with MOM-ether cleavage observed in ^1H NMR spectrum. eDMA: N,N-dimethylacetamide.", "id": "1315.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aPerformed under reflux conditions in a Carousel 12 Plus Reaction Station from Radleys, using a metal heating block, bNMR yield. c10 mol % dppe.d5mol % Pd(OAc)_2. e10 mol % P((4-CF_3)C_6H_4)_3.", "id": "1316.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aConversion monitored at HPLC-UV at 210 nm. The product was isolated only when conversion was >95%. bThis reaction was also performed in 10 mmol scale with similar results.", "id": "1317.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReaction conditions: 1a (50 μmol), DDQ (Protocol A: 7S μmol, Protocol B: 12.5 μmol), TBN (Protocol B: 12.5 μmol), CH_2Cl_2 (5 mL), H_2O (50 μL), 525 nm irradiation at rt. bDetermined by ^1H NMR using maleic acid as the internal standard. cNot detected.", "id": "1318.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aThe reaction was conducted using 1a (0.2 mmol), 2a (x mmol), catalyst (2 mol %), ligand (6 mol %), base (2.0 equiv), CO(10 bar), 80 ℃, 15 h. bDetermined by GC with hexadecane as internal standard. cIsolated yield is shown in parentheses.", "id": "1319.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aPrevious hydrazone formation attempts employed hydrazine hydrate and catalytic acetic acid and yielded <20%. b4.0 equivalents of desiccant employed. cReaction run at 60 °C for 96 hours.", "id": "1320.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aThe experiments were carried out at 0.17 M.bDetermined by ^1H NMR analysis of the crude reaction mixtures.cDetermined by HPLC analysis on a chiral stationary phase.dThe starting material was synthesized via Route B(Scheme 3b).", "id": "1321.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aThe yield was not determined. bisolated product.", "id": "1322.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aConducted on a 0.29 mmol scale using a catalyst(10 mol %)in a solvent (0.2 M).bDetermined by chiral HPLC.", "id": "1323.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aConversion monitored at HPLC-UV at 210 nm.", "id": "1324.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aRun on 50 mg scale.Purified by thin layer chromatography as described below.bRun on 10 mg scale for the purpose of enantiomeric ratio determination. Purified by preparative thin layer chromatography using 33% ethyl acetate in hexanes.c Consumption of diazo qualitatively observed after 4 days,reaction ceased after 6 days.", "id": "1325.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aMethod and conditions adapted from this reference. b Conversion <5%(TLC), unreacted starting material recovered. c Conversion <20%(^1H NMR-spectroscopy). dIsolated along with ca. 20% of 14af.", "id": "1326.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aConversion monitored at HPLC-UV at 210 nm. The product was isolated only when conversion was>95. bConversion was 94% after 7 h. cYield was calculated after telescoping transformation to 6b.", "id": "1327.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aconversion was determined by using a ^1H NMR spectrum of a crude mixtures.bBased on TLC results.c10% of the ketone 26 was recovered.dThe reaction was conducted in neat N_2H_4.e The conversion was determined by using a ^1H NMR spectrum of aliquot. fside products were observed in the ^1H NMR spectrum of the crude mixture.", "id": "1328.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReaction conditions: 1a(50 μmol), DDQ(2 equiv), CH_2Cl_2(5 mL), H_2O (50 μL), irradiation at 525 nm(80W) at rt. bDetermined by ^1H-NMR using maleic acid as internal standard. cnot detected.", "id": "1329.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReaction conditions: 1a(50 μmol), DDQ(25 mol%), TBN(25 mol%), CH_2Cl_2 (5 mL), H_2O(50 μL), irradiation at 525 nm(40 W) at rt. b Determined by ^1H-NMR using maleic acid as internal standard.c not detected.", "id": "1330.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aDetermined by GC or ^1H NMR. All reactions quenched with air after the indicated time.In cases when time is <2 h, SmI_2(H_2O)_n complexes were oxidized by excess of water to Sm(Ⅲ). bSide-by-side reactions. cReproduced from Table 1. Conditions: 0.05 mmol of substrate, 3 equiv of SmI_2. Yield(^1H NMR)in brackets.", "id": "1331.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aDetermined by GC or ^1H NMR. bReproduced from Table 1. cTwo iterations(sequential reactions).Conditions:0.05 mmol of substrate,3 equiv of SmI_2.In all entries,>95% yield based on recovered starting material.Entry 13,57.7% conv after first iteration; entry 14,56.9%.", "id": "1332.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aStandard conditions: undivided cell,C-SK50 anode and cathode constant current=10 mA, 1a(0.4 mmol), Et_4NOTs(1.0 equiv),ACN/EtOH 1:1(0.08 M),rt,3h.bIsolated yield.cNR=no reaction.", "id": "1333.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "(a)General conditions: Dicarboxylic acid 1(4.6 mM), catalyst, additives and solvent, were stirred at the indicated temperature under an inert atmosphere for 24 h.(b)Yield of the major product as determined by ^1H NMR analysis using 1-methoxynaphthalene as an internal standard.(c)For conditions ,see reference 2. (d)For conditions,see reference 3. (e)For conditions, see reference 4.(f)For conditions,see reference 5.", "id": "1334.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "a0.2 mmol 4a, 1.1 equiv of 16a, 0.03 M, sealed vial, yield by internal standard ^1H NMR.", "id": "1335.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aFor the reaction, 1a(0.1 mmol), 2a(0.13 mmol),1 mL of solvent,20 mol% additive(when present),and 10 mg of catalyst were placed in a 5 mL vial equipped with a magnetic bar and a balloon filled with air; the reaction mixture was stirred under 40W blue LED light for the time reported. bConversion of 1a and yields were determined by ^1H NMR using durene as an internal standard. \\mark{cReaction performed with a 10W fluorescent light bulb. d Reaction performed with 10W blue LED light. eWith 10 mol% additive. fReaction performed in the dark.gReaction performed under argon.", "id": "1336.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReaction conditions: 0.2 mmol of 1a•HCl and 2 mL of DCE in a sealed tube. bPyridine was used as solvent. cNMR yields are given using tetrachloroethane as internal standard. dComplex mixture.", "id": "1337.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aIsolated yields of all four diastereomers; bdr was determined by the crude ^1H NMR, dr=[(S,S)+(R,R)]:[(S,R)+(R,S)]; cer was determined by HPLC.", "id": "1338.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "a30 mol% 2•TFA,1.30 equiv of NCS,then 2.50 equiv of NaBH_4, 0 ℃. bee of the major diastereomer.cent-2(30 mol%) was used.", "id": "1339.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aConcentration based on limiting reagent 8.bDetermined by ^1H NMR analysis.cFrom isolated yields.", "id": "1340.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aUnless otherwise indicated, all reactions were performed as follows:reaction scale:0.15 mmol,10 mol% catalyst,HE 5 mol%,Ar,1 mL solvent,temp.60℃,reaction time 24h. bIsolated yield.", "id": "1341.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "(a)Ratio determined by integration of the corresponding peaks in the crude ^1H NMR spectrum of the precipitate collected upon pouring onto ice.(b)Complete consumption of 15 observed.(c)Aftervpouring onto ice,the filtrate was extracted with diethyl ether,concentrated, and the resulting solid residue combined with the precipitate.(d)", "id": "1342.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "a0.2 mmol 17a,0.03 M,sealed vial,yield by internal standard ^1H NMR.", "id": "1343.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aFor the reaction, 1a(0.1 mmol), 2a(0.13 mmol),1 mL of solvent,and 10 mg of catalyst were placed in a 5 mL vial equipped with a magnetic bar and a balloon filled with air;the reaction mixture was stirred under 40 W blue LED light for the time reported.b Conversion of 1a and yields of 3aa and 4-6 were determined by ^1H NMR using durene as an internal standard.cReaction performed with 1a (0.13 mmol) and 2a(0.1 mmol). dReaction performed with 20 W blue LED light.eReaction performed with 10 W blue LED light.fReaction performed with 5 mg of mpg-CN.gReaction performed with 15 mg of mpg-CN.", "id": "1344.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "Reaction conditions:0.2 mmol of 1a•HCl and 2 mL of DCE in a sealed tube.bNMR yields using tetrachloroethane as internal standard.cIsolated yields.", "id": "1345.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aIsolated yields of all four diastereomers;bdr was determined by the crude ^1H NMR,dr=[(S,S)+(R,R)]:[(S,R)+(R,S)]; cer was determined by HPLC.", "id": "1346.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReaction conditions:azide (0.075 mmol,0.05 M),(S)-tert-butylsulfinamide(0.15 mmol,1.5 equiv),degassed solvent(1.5 mL),and 390 nm Kessil LED light,1.5 h. bDetermined by ^1H NMR with an internal standard.", "id": "1347.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aIsolated yield.", "id": "1348.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aGeneral conditions: dicarboxylic acid 1(4.6 mM), catalyst,and additive were dissolved in N-methyl-2-pyrrolidone and heated to the indicated temperature under an inert atmosphere for 24 h. bYield of the major product as determined by ^1H NMR spectroscopy using 1-methoxynaphthalene as an internal standard.cIsolated yield:100 mg scale.dIsolated yield:3.0 g scale.eReaction conducted under an air atmosphere;fFor conditions,see ref 59.gFor conditions,see ref 58.", "id": "1349.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReaction conditions:0.2 mmol of 1a•HCl and 2 mL of DCE in a sealed tube.b NMR yields are given using tetrachloroethane as internal standard.cIsolated yield.", "id": "1350.png", "unable_to_answer": false} -{"question": "What are the annotations of this table?", "answer": "aReactions performed with Boc-Trp(Boc)-H(0.300 mmol)and acetylacetone(0.300 mmol)at the indicated temperature for 6 h. bYields reported as quantitative NMR yields using dimethyl terephthalate as internal standard.", "id": "1351.png", "unable_to_answer": false} diff --git a/ChemTable/question/benzene_ring_count.jsonl b/ChemTable/question/benzene_ring_count.jsonl deleted file mode 100644 index e144c4e27f9c8ef4943bc9b66a17f9c57e1e34e2..0000000000000000000000000000000000000000 --- a/ChemTable/question/benzene_ring_count.jsonl +++ /dev/null @@ -1,33 +0,0 @@ -{"question": "How many benzene rings are there in the diagram?", "answer": "11", "id": "132.png", "unable_to_answer": false} -{"question": "What is the proportion of substances containing benzene rings among all the substances in the table?", "answer": "100%", "id": "134.png", "unable_to_answer": false} -{"question": "How does the number of benzene rings change during this chemical reaction?", "answer": "There is no change.", "id": "135.png", "unable_to_answer": false} -{"question": "In the chemical reaction shown in the diagram, does the product contain a benzene ring?", "answer": "It contains a benzene ring.", "id": "131.png", "unable_to_answer": false} -{"question": "How many benzene rings are there in the diagram?", "answer": "9", "id": "133.png", "unable_to_answer": false} -{"question": "How many benzene rings are there in total in the reactants according to the table?", "answer": "There is a total of 1 benzene ring in the reactants.", "id": "1302.png", "unable_to_answer": false} -{"question": "Is the number of benzene rings in the reactants and products the same in the table?", "answer": "The number of benzene rings in the reactants and products is the same.", "id": "1303.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are 2 benzene rings in total.", "id": "1304.png", "unable_to_answer": false} -{"question": "How many benzene rings are present in the substance labeled as 1a in the table?", "answer": "The substance labeled as 1a contains 1 benzene ring.", "id": "1305.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are 2 benzene rings in total.", "id": "1306.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 6 benzene rings.", "id": "1313.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 3 benzene rings.", "id": "1307.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 4 benzene rings.", "id": "1315.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 4 benzene rings.", "id": "1321.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 9 benzene rings.", "id": "1322.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 5 benzene rings.", "id": "1325.png", "unable_to_answer": false} -{"question": "How many benzene rings are present in the substance labeled as 3a in the table?", "answer": "The substance labeled as 3a contains a total of 2 benzene rings.", "id": "1331.png", "unable_to_answer": false} -{"question": "How many benzene rings are contained in the substance labeled as 3aa in the table?", "answer": "The substance labeled as 3aa contains 1 benzene ring.", "id": "1316.png", "unable_to_answer": false} -{"question": "How many benzene rings are present in the substance labeled as 6 in the table?", "answer": "The substance labeled as 6 contains a total of 2 benzene rings.", "id": "1334.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 4 benzene rings.", "id": "1320.png", "unable_to_answer": false} -{"question": "How many benzene rings are there in total in the substances labeled as 2a and 3a in the table?", "answer": "There are 2 benzene rings in total in the substances labeled as 2a and 3a.", "id": "1319.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 5 benzene rings.", "id": "1336.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 6 benzene rings.", "id": "1328.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 6 benzene rings.", "id": "1326.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are 2 benzene rings in total.", "id": "1333.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are 2 benzene rings in total.", "id": "1337.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 6 benzene rings.", "id": "1342.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 4 benzene rings.", "id": "1338.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 4 benzene rings.", "id": "1346.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are 2 benzene rings in total.", "id": "1347.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 3 benzene rings.", "id": "1340.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are 2 benzene rings in total.", "id": "1312.png", "unable_to_answer": false} -{"question": "How many molecular diagrams of benzene rings are there in the table?", "answer": "There are a total of 2 benzene rings.", "id": "1345.png", "unable_to_answer": false} diff --git a/ChemTable/question/functional_base.jsonl b/ChemTable/question/functional_base.jsonl deleted file mode 100644 index a526fbdb7ce0ac6f26283176ddb4fc8d0c04ee58..0000000000000000000000000000000000000000 --- a/ChemTable/question/functional_base.jsonl +++ /dev/null @@ -1,13 +0,0 @@ -{"question": "What is the product obtained when 2-iodothiophene and phenylacetylene are reacted under the screened conditions?", "answer": "3g", "id": "1324.png", "unable_to_answer": false} -{"question": "What is the 1:16 product ratio obtained when HCl conc. (4.4 mL) and MeCO2H (1.0 mL) are used as reagents and solvent, respectively, at 50°C for 19 hours?", "answer": "4:96", "id": "1342.png", "unable_to_answer": false} -{"question": "What was the ee when LiOMe was used as the base?", "answer": "95", "id": "1306.png", "unable_to_answer": false} -{"question": "What is the SM:PDT ratio when using MgSO4 as the desiccant and AcOH as the acid?", "answer": "Trace", "id": "1320.png", "unable_to_answer": false} -{"question": "What is the atomic composition of the nanoparticle when Sr is doped with an initial molar ratio of 0.05?", "answer": "Sr0.15Mn2.85O4", "id": "1314.png", "unable_to_answer": false} -{"question": "Which catalyst has the largest absolute difference between its yield (%) and ee (%) values?", "answer": "Cu(OTf)_2", "id": "1303.png", "unable_to_answer": false} -{"question": "Which base among K2CO3, Na2CO3, and Cs2CO3 gave the intermediate yield for product 3, and what is that yield?", "answer": "K2CO3, 70%", "id": "552.png", "unable_to_answer": false} -{"question": "Which entry shows the smallest difference between the yields of products 2a and 4a, and what is that difference?", "answer": "Entry 3, difference is 1", "id": "305.png", "unable_to_answer": false} -{"question": "Which compound has the smallest difference between the values of T2 and the Naphthalene plane/alkene (or carbonyl) plane angle, and what is that difference?", "answer": "Compound 6A, with a difference of 14.78 (78.50 - 63.72 = 14.78)", "id": "502.png", "unable_to_answer": false} -{"question": "Which product exhibited the largest absolute increase in yield when the catalyst loading was increased from 2.5 mol% to 5.0 mol% under otherwise identical conditions?", "answer": "4m", "id": "485.png", "unable_to_answer": false} -{"question": "What is the reference number for the product where a GalNAc moiety is attached to a β-pNP-4-S-Glc acceptor?", "answer": "4", "id": "1467.png", "unable_to_answer": false} -{"question": "What is the number of water losses for the fragment ion with the lowest theoretical m/z value?", "answer": "-", "id": "473.png", "unable_to_answer": false} -{"question": "What is the yield of product 6 when flavin 4b, K2S2O8, and Na2HPO4 are used for 8 hours without irradiation?", "answer": "94%", "id": "1162.png", "unable_to_answer": false} diff --git a/ChemTable/question/logical_reasoning_trend.jsonl b/ChemTable/question/logical_reasoning_trend.jsonl deleted file mode 100644 index 333234e04ef68ab234253dd1f1a6e21e5b620a89..0000000000000000000000000000000000000000 --- a/ChemTable/question/logical_reasoning_trend.jsonl +++ /dev/null @@ -1,20 +0,0 @@ -{"question": "In the data from rows 8 to 12, how does the yield change as the temperature increases?", "answer": "It first increases and then decreases.", "id": "1335.png", "unable_to_answer": false} -{"question": "When the value in the third column is 1.3, the solvent is MeCN, and the temperature is 85°C, how does the yield change as the concentration increases?", "answer": "It first increases and then decreases.", "id": "1168.png", "unable_to_answer": false} -{"question": "When the value in the second column is 1.0 and the value in the third column is 1.3, how does the yield change as conc increases?", "answer": "It decreases first and then increases.", "id": "1166.png", "unable_to_answer": false} -{"question": "How does the yield of 2a change with increasing concentration of ru-3?", "answer": "It first increases and then decreases.", "id": "866.png", "unable_to_answer": false} -{"question": "What is the trend of the yield changes in the table?", "answer": "It increases sequentially.", "id": "868.png", "unable_to_answer": false} -{"question": "How does the yield of 4a change with increasing x concentration?", "answer": "It increases at first and then slightly decreases.", "id": "1299.png", "unable_to_answer": false} -{"question": "In rows 4-6 of the data, how does the yield of 2a change as na-d15 increases?", "answer": "It increases.", "id": "1370.png", "unable_to_answer": false} -{"question": "When the concentration of Cu is 1 mol%, as the concentration of lutidine increases gradually, at what point does the conversion rate undergo a sudden change?", "answer": "95", "id": "1003.png", "unable_to_answer": false} -{"question": "In Table 3, what is the trend in yield from rows 3 to 7?", "answer": "It remains roughly unchanged.", "id": "1455.png", "unable_to_answer": false} -{"question": "How does the yield change as the reaction scale increases?", "answer": "It decreases.", "id": "1356.png", "unable_to_answer": false} -{"question": "At time 120, how does the yield change as x decreases?", "answer": "The yield decreases.", "id": "1016.png", "unable_to_answer": false} -{"question": "As t increases, how do 2a and 2b change?", "answer": "2a gradually increases, while 2b gradually decreases.", "id": "1024.png", "unable_to_answer": false} -{"question": "How does the yield change as the reaction time increases?", "answer": "It gradually increases.", "id": "1014.png", "unable_to_answer": false} -{"question": "When the value in the first column is 10, how does the data in the third column change as the data in the second column increases?", "answer": "It increases.", "id": "1291.png", "unable_to_answer": false} -{"question": "In rows 10-12, how does the yield change as the temperature decreases?", "answer": "It first decreases and then increases.", "id": "1376.png", "unable_to_answer": false} -{"question": "In rows 13 to 15, how does the yield of 3aa change as the 1a:2a ratio increases?", "answer": "It gradually increases.", "id": "1354.png", "unable_to_answer": false} -{"question": "In the data from rows 8 to 12, how does the yield change as the temperature increases?", "answer": "It first increases and then decreases.", "id": "1335.png", "unable_to_answer": false} -{"question": "As x increases, how does the yield change?", "answer": "It increases initially, and then as x continues to increase, the yield exhibits slight fluctuations.", "id": "1013.png", "unable_to_answer": false} -{"question": "At 50°C, how does the yield change as the amount of catalyst increases?", "answer": "It increases gradually.", "id": "1023.png", "unable_to_answer": false} -{"question": "From the data in row 456, how does the conversion rate change as equiv increases?", "answer": "It increases.", "id": "1358.png", "unable_to_answer": false} \ No newline at end of file diff --git a/ChemTable/question/multihop_reference.jsonl b/ChemTable/question/multihop_reference.jsonl deleted file mode 100644 index 64ce04e3e42799ce85beefbcce46a5b73453d6ac..0000000000000000000000000000000000000000 --- a/ChemTable/question/multihop_reference.jsonl +++ /dev/null @@ -1,16 +0,0 @@ -{"question": "In the table, what is the value in the # column corresponding to Conv. at 95%?", "answer": "8", "id": "134.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the Yield value corresponding to an ee column value of 87?", "answer": "85", "id": "1304.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the entry value corresponding to a value of 24 in column 3aa?", "answer": "2", "id": "1316.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the entry value corresponding to a yield column value of 70?", "answer": "4", "id": "1338.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the yield value corresponding to an aniline value of 59?", "answer": "21", "id": "1347.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the temp value corresponding to a time value of 4.5?", "answer": "160", "id": "1328.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the ee value corresponding to a conv. column value of 62?", "answer": "95", "id": "1321.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the yield value corresponding to an ee column value of 99?", "answer": "97", "id": "1398.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the High value corresponding to a Low value of 1?", "answer": "1.25", "id": "1450.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the value of 'different excess' corresponding to a 'standard' column value of 8?", "answer": "8", "id": "1443.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the Entry value corresponding to a Yield value of 82?", "answer": "16", "id": "1488.png", "unable_to_answer": false, "hop": 2} -{"question": "For Con, what is the Entry value corresponding to a column value of 74?", "answer": "1", "id": "1462.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the entry value corresponding to a yield column value of 48%?", "answer": "8", "id": "1494.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the time corresponding to a yield value of 86?", "answer": "2", "id": "1473.png", "unable_to_answer": false, "hop": 2} -{"question": "What is the entry value corresponding to a yield column value of 15?", "answer": "7", "id": "1480.png", "unable_to_answer": false, "hop": 2} -{"question": "At what temperature does the reaction in the figure occur?", "answer": "40°C", "id": "1500.png", "unable_to_answer": false, "hop": 2} diff --git a/ChemTable/question/statistic_qa_theEnd.jsonl b/ChemTable/question/statistic_qa_theEnd.jsonl deleted file mode 100644 index b3c334eb25aebf92bcfa108e76045893c50da288..0000000000000000000000000000000000000000 --- a/ChemTable/question/statistic_qa_theEnd.jsonl +++ /dev/null @@ -1,24 +0,0 @@ -{"question": "Which base among Cs2CO3, K3PO4, and TEA gives the highest yield?", "answer": "K3PO4 gives the highest yield of 68%.", "id": "135.png", "unable_to_answer": false, "category": "compare"} -{"question": "What is the sum of the yields when changing the Pd loading (0.5 mg, 1.0 mg, 2.0 mg, 3.0 mg) with 20 mol% PPh3?", "answer": "The sum of the yields is 62 + 68 + 74 + 72 = 276%.", "id": "135.png", "unable_to_answer": false, "category": "sum"} -{"question": "Which catalyst-solvent combination gives the highest conversion (%)?", "answer": "The Pd-1 catalyst (entry 18) gives the highest conversion at 99%.", "id": "131.png", "unable_to_answer": false, "category": "max"} -{"question": "What is the mean conversion (%) for all entries (treating '<5' as 5 and using the highest value in cases like '82(99)a' and '99b')?", "answer": "The mean conversion is approximately 54.2%.", "id": "131.png", "unable_to_answer": false, "category": "mean"} -{"question": "What is the sum of the 3(%) values for all entries (treating '<5' as 5 and using the highest value in cases like '82(99)a' and '99b')?", "answer": "The sum of the 3(%) values is 857.", "id": "131.png", "unable_to_answer": false, "category": "sum"} -{"question": "Compare the conversion (%) between Pd_2(dba)_3(2) in DMF and in dioxane.", "answer": "Pd_2(dba)_3(2) in DMF gives 51% conversion, while in dioxane it gives 70% conversion. Therefore, dioxane gives a higher conversion.", "id": "131.png", "unable_to_answer": false, "category": "compare"} -{"question": "Which solvent gives the lowest conversion (%) with Pd_2(dba)_3(2) catalyst?", "answer": "PEG-400 gives the lowest conversion (<5%, treated as 5%) with Pd_2(dba)_3(2) catalyst.", "id": "131.png", "unable_to_answer": false, "category": "max"} -{"question": "Which entry gives the highest yield, and what are the catalyst, oxidant, solvent, and yield?", "answer": "Entries 8 and 12 both give the highest yield of 95%. The catalyst is PdCl2(MeCN)2, the oxidant is tBuONO (1.0), and the solvent is EtOH.", "id": "1309.png", "unable_to_answer": false, "category": "max"} -{"question": "What is the sum of all reported numerical yields (excluding '-', '<1', and duplicates)?", "answer": "The sum of all reported numerical yields is 13 + 11 + 88 + 44 + 18 + 95 + 19 + 36 + 95 = 419.", "id": "1309.png", "unable_to_answer": false, "category": "sum"} -{"question": "What is the mean (average) yield of all reported numerical yields (excluding '-', '<1', and duplicates)?", "answer": "There are 9 numerical yields: 13, 11, 88, 44, 18, 95, 19, 36, 95. The mean yield is 419 / 9 ≈ 46.56%.", "id": "1309.png", "unable_to_answer": false, "category": "mean"} -{"question": "What is the sum of the V_{Total} values for PIM-1, PIM-DBMP_{0.1}, PIM-DBMP_{0.25}, and PIM-DBMP_{0.5}?", "answer": "The sum is 0.57 + 0.66 + 0.62 + 0.67 = 2.52 mL g^{-1}.", "id": "1308.png", "unable_to_answer": false, "category": "sum"} -{"question": "What is the mean CO2 uptake for PIM-DBMP_{0.1}, PIM-DBMP_{0.25}, PIM-DBMP_{0.5}, PIM-DBMP_{0.75}, PIM-DBMP_{0.9}, and PIM-DBMP?", "answer": "The mean CO2 uptake is (2.5 + 2.4 + 2.6 + 2.4 + 2.4 + 2.4) / 6 = 2.45 mmol g^{-1}.", "id": "1308.png", "unable_to_answer": false, "category": "mean"} -{"question": "Which polymer has the maximum Young's Modulus among those with available data?", "answer": "PIM-DBMP_{0.75} has the maximum Young's Modulus with a value of 3150 MPa.", "id": "1308.png", "unable_to_answer": false, "category": "max"} -{"question": "Which solvent, between DMF and Cyrene (both with TEA as base), gives a higher conversion percentage?", "answer": "Cyrene gives a higher conversion percentage (91%) compared to DMF (90%).", "id": "1317.png", "unable_to_answer": false, "category": "compare"} -{"question": "What is the maximum conversion percentage observed in the table?", "answer": "The maximum conversion percentage observed is >99%.", "id": "1317.png", "unable_to_answer": false, "category": "max"} -{"question": "What is the sum of the conversion percentages for all entries where the base is TEA and CuI is 4 mol%?", "answer": "The sum is 90 + 91 + 86 + 96 + 83 + 66 + 65 + 72 + 86 + 92 + 92 = 919.", "id": "1317.png", "unable_to_answer": false, "category": "sum"} -{"question": "What is the mean conversion percentage for all entries where the base is TMG and CuI is 1 mol%?", "answer": "The mean is (99 + 99 + 95 + 99 + 99 + 99 + 99 + 99) / 8 = 97.375%.", "id": "1317.png", "unable_to_answer": false, "category": "mean"} -{"question": "Compare the conversion percentages for HEP solvent when using TEA versus TMG as the base (entries 4, 17, 20, 21). Which base gives a higher conversion?", "answer": "With HEP as solvent, TEA as base gives conversions of 96% (entry 4) and 49% (entry 20), while TMG as base gives 99% (entry 17) and 9% (entry 21). The highest conversion is with TMG (99% in entry 17).", "id": "1317.png", "unable_to_answer": false, "category": "compare"} -{"question": "Which desiccant resulted in the lowest SM:PDT ratio for the starting material (SM) when using AcOH as the acid?", "answer": "Silica Gel with Sc(OTf)3 (Entry 15) resulted in the lowest SM value of 0.0.", "id": "1320.png", "unable_to_answer": false, "category": "min"} -{"question": "What is the maximum PDT value observed in the SM:PDT column?", "answer": "The maximum PDT value is 1.0, observed in multiple entries (Entries 10, 11, 12, 13, 14, 15, and 16).", "id": "1320.png", "unable_to_answer": false, "category": "max"} -{"question": "What is the sum of all the SM values (first number in SM:PDT) for entries where both SM and PDT are numeric?", "answer": "The sum of all SM values is 9.37.", "id": "1320.png", "unable_to_answer": false, "category": "sum"} -{"question": "What is the mean PDT value (second number in SM:PDT) for all entries with numeric values?", "answer": "The mean PDT value is approximately 0.495.", "id": "1320.png", "unable_to_answer": false, "category": "mean"} -{"question": "Compare the SM:PDT ratio for Silica Gel with AcOH (Entry 9) and Silica Gel with Sc(OTf)3 (Entry 15). Which condition gives a higher product (PDT) value?", "answer": "Silica Gel with Sc(OTf)3 (Entry 15) gives a higher PDT value (1.0) compared to Silica Gel with AcOH (Entry 9), which has a PDT value of 0.30.", "id": "1320.png", "unable_to_answer": false, "category": "compare"} -{"question": "Which catalyst in CH2Cl2 solvent gives the highest yield?", "answer": "Si-TsOH in CH2Cl2 (entry 6) gives the highest yield of 92%.", "id": "1323.png", "unable_to_answer": false, "category": "max"} diff --git a/ChemTable/question/table_qa_content.jsonl b/ChemTable/question/table_qa_content.jsonl deleted file mode 100644 index a7778908ca1bf25d7793089948d0c6595379b797..0000000000000000000000000000000000000000 --- a/ChemTable/question/table_qa_content.jsonl +++ /dev/null @@ -1,56 +0,0 @@ -{"question": "What is the content of the cell at row 17 and column 1 in the picture?", "answer": "16", "id": "131.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 6 and column 2 in the picture?", "answer": "(COD)PdCl_2", "id": "134.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 19 and column 3 in the picture?", "answer": "76", "id": "135.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 4 in the picture?", "answer": "zmol%", "id": "1300.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 5 and column 5 in the picture?", "answer": "89 (79/21)", "id": "1301.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 4 in the picture?", "answer": "21", "id": "1302.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 4 in the picture?", "answer": "57", "id": "1303.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 3 and column 2 in the picture?", "answer": "CH_3CN", "id": "1304.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 2 and column 2 in the picture?", "answer": "NaPF_6", "id": "1305.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 2 and column 2 in the picture?", "answer": "KOtBu", "id": "1306.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 4 in the picture?", "answer": "ee/%[c]", "id": "1307.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 5 and column 2 in the picture?", "answer": "65000[e]", "id": "1308.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 4 in the picture?", "answer": "Solvent", "id": "1309.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 13 and column 6 in the picture?", "answer": "HFIP", "id": "1310.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 14 and column 3 in the picture?", "answer": "47%", "id": "1311.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 7 and column 2 in the picture?", "answer": "Zn", "id": "1314.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 8 and column 4 in the picture?", "answer": "<5b", "id": "1315.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 9 and column 4 in the picture?", "answer": "P(OEt)_3", "id": "1316.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 3 in the picture?", "answer": "2a [equiv]", "id": "1317.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 9 and column 2 in the picture?", "answer": "8", "id": "1318.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 3 and column 2 in the picture?", "answer": "No ligand", "id": "1319.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 7 and column 2 in the picture?", "answer": "CaSO_4", "id": "1320.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 10 and column 6 in the picture?", "answer": "57", "id": "1321.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 1 in the picture?", "answer": "entry", "id": "1322.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 8 and column 1 in the picture?", "answer": "7", "id": "1323.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 1 in the picture?", "answer": "entry", "id": "1324.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 2 and column 1 in the picture?", "answer": "1a", "id": "1325.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 12 and column 1 in the picture?", "answer": "11", "id": "1326.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 5 in the picture?", "answer": "L", "id": "1327.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 13 and column 1 in the picture?", "answer": "11", "id": "1328.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 3 and column 5 in the picture?", "answer": "78", "id": "1329.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 1 in the picture?", "answer": "Entry", "id": "1330.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 5 and column 4 in the picture?", "answer": "37 min", "id": "1331.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 6 and column 1 in the picture?", "answer": "5", "id": "1332.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 11 and column 2 in the picture?", "answer": "15 mA instead of 10 mA", "id": "1333.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 3 and column 3 in the picture?", "answer": "7(10), K_2CO_3(100)", "id": "1334.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 6 and column 2 in the picture?", "answer": "Rh_2(S-tPTTL)_4", "id": "1335.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 19 and column 9 in the picture?", "answer": "22", "id": "1336.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 6 and column 2 in the picture?", "answer": "Pyridine", "id": "1337.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 5 in the picture?", "answer": "erc", "id": "1338.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 5 and column 2 in the picture?", "answer": "-28", "id": "1339.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 6 in the picture?", "answer": "73", "id": "1340.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 12 and column 1 in the picture?", "answer": "11", "id": "1341.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 1 and column 1 in the picture?", "answer": "Entry", "id": "1342.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 8 and column 4 in the picture?", "answer": "60", "id": "1343.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 2 in the picture?", "answer": "H_2O", "id": "1344.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 3 and column 2 in the picture?", "answer": "5 mol%", "id": "1345.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 8 and column 3 in the picture?", "answer": "78", "id": "1346.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 3 in the picture?", "answer": "52", "id": "1347.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 3 in the picture?", "answer": "73", "id": "1348.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 14 and column 6 in the picture?", "answer": "6,>95c", "id": "1349.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 4 and column 1 in the picture?", "answer": "3", "id": "1350.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 2 and column 2 in the picture?", "answer": "ZrOCl_2^*8H_2O(10 mol%)", "id": "1351.png", "unable_to_answer": false} -{"question": "What is the content of the cell at row 24 and column 10 in the picture?", "answer": "Unable to answer", "id": "131.png", "unable_to_answer": true} -{"question": "What is the content of the cell at row 11 and column 7 in the picture?", "answer": "Unable to answer", "id": "134.png", "unable_to_answer": true} -{"question": "What is the content of the cell at row 29 and column 8 in the picture?", "answer": "Unable to answer", "id": "135.png", "unable_to_answer": true} diff --git a/ChemTable/question/table_qa_position.jsonl b/ChemTable/question/table_qa_position.jsonl deleted file mode 100644 index 7b240f2972f0e9aa36d7bf0a6db8b24ec2295532..0000000000000000000000000000000000000000 --- a/ChemTable/question/table_qa_position.jsonl +++ /dev/null @@ -1,56 +0,0 @@ -{"question": "What is the position of the cell with value \"16\" in the picture?", "answer": "Row 17, Column 1", "id": "131.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"(COD)PdCl_2\" in the picture?", "answer": "Row 6, Column 2", "id": "134.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"76\" in the picture?", "answer": "Row 19, Column 3", "id": "135.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"zmol%\" in the picture?", "answer": "Row 1, Column 4", "id": "1300.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"89 (79/21)\" in the picture?", "answer": "Row 5, Column 5", "id": "1301.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"21\" in the picture?", "answer": "Row 4, Column 4", "id": "1302.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"57\" in the picture?", "answer": "Row 4, Column 4", "id": "1303.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"CH_3CN\" in the picture?", "answer": "Row 3, Column 2", "id": "1304.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"NaPF_6\" in the picture?", "answer": "Row 2, Column 2", "id": "1305.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"KOtBu\" in the picture?", "answer": "Row 2, Column 2", "id": "1306.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"ee/%[c]\" in the picture?", "answer": "Row 1, Column 4", "id": "1307.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"65000[e]\" in the picture?", "answer": "Row 5, Column 2", "id": "1308.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Solvent\" in the picture?", "answer": "Row 1, Column 4", "id": "1309.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"HFIP\" in the picture?", "answer": "Row 13, Column 6", "id": "1310.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"47%\" in the picture?", "answer": "Row 14, Column 3", "id": "1311.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Zn\" in the picture?", "answer": "Row 7, Column 2", "id": "1314.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"<5b\" in the picture?", "answer": "Row 8, Column 4", "id": "1315.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"P(OEt)_3\" in the picture?", "answer": "Row 9, Column 4", "id": "1316.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"2a [equiv]\" in the picture?", "answer": "Row 1, Column 3", "id": "1317.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"8\" in the picture?", "answer": "Row 9, Column 2", "id": "1318.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"No ligand\" in the picture?", "answer": "Row 3, Column 2", "id": "1319.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"CaSO_4\" in the picture?", "answer": "Row 7, Column 2", "id": "1320.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"57\" in the picture?", "answer": "Row 10, Column 6", "id": "1321.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"entry\" in the picture?", "answer": "Row 1, Column 1", "id": "1322.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"7\" in the picture?", "answer": "Row 8, Column 1", "id": "1323.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"entry\" in the picture?", "answer": "Row 1, Column 1", "id": "1324.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"1a\" in the picture?", "answer": "Row 2, Column 1", "id": "1325.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"11\" in the picture?", "answer": "Row 12, Column 1", "id": "1326.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"L\" in the picture?", "answer": "Row 1, Column 5", "id": "1327.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"11\" in the picture?", "answer": "Row 13, Column 1", "id": "1328.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"78\" in the picture?", "answer": "Row 3, Column 5", "id": "1329.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Entry\" in the picture?", "answer": "Row 1, Column 1", "id": "1330.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"37 min\" in the picture?", "answer": "Row 5, Column 4", "id": "1331.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"5\" in the picture?", "answer": "Row 6, Column 1", "id": "1332.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"15 mA instead of 10 mA\" in the picture?", "answer": "Row 11, Column 2", "id": "1333.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"7(10), K_2CO_3(100)\" in the picture?", "answer": "Row 3, Column 3", "id": "1334.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Rh_2(S-tPTTL)_4\" in the picture?", "answer": "Row 6, Column 2", "id": "1335.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"22\" in the picture?", "answer": "Row 19, Column 9", "id": "1336.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Pyridine\" in the picture?", "answer": "Row 6, Column 2", "id": "1337.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"erc\" in the picture?", "answer": "Row 1, Column 5", "id": "1338.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"-28\" in the picture?", "answer": "Row 5, Column 2", "id": "1339.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"73\" in the picture?", "answer": "Row 4, Column 6", "id": "1340.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"11\" in the picture?", "answer": "Row 12, Column 1", "id": "1341.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Entry\" in the picture?", "answer": "Row 1, Column 1", "id": "1342.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"60\" in the picture?", "answer": "Row 8, Column 4", "id": "1343.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"H_2O\" in the picture?", "answer": "Row 4, Column 2", "id": "1344.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"5 mol%\" in the picture?", "answer": "Row 3, Column 2", "id": "1345.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"78\" in the picture?", "answer": "Row 8, Column 3", "id": "1346.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"52\" in the picture?", "answer": "Row 4, Column 3", "id": "1347.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"73\" in the picture?", "answer": "Row 4, Column 3", "id": "1348.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"6,>95c\" in the picture?", "answer": "Row 14, Column 6", "id": "1349.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"3\" in the picture?", "answer": "Row 4, Column 1", "id": "1350.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"ZrOCl_2^*8H_2O(10 mol%)\" in the picture?", "answer": "Row 2, Column 2", "id": "1351.png", "unable_to_answer": false} -{"question": "What is the position of the cell with value \"Residual Unfunctionalized Equivalents(per Pt)\" in the picture?", "answer": "No answer", "id": "131.png", "unable_to_answer": true} -{"question": "What is the position of the cell with value \"0.06\" in the picture?", "answer": "No answer", "id": "134.png", "unable_to_answer": true} -{"question": "What is the position of the cell with value \"100\" in the picture?", "answer": "No answer", "id": "135.png", "unable_to_answer": true} diff --git a/ChemTable/question/table_qa_size.jsonl b/ChemTable/question/table_qa_size.jsonl deleted file mode 100644 index 56ef71545450b34be7b8cd36f537c5693a09ce9f..0000000000000000000000000000000000000000 --- a/ChemTable/question/table_qa_size.jsonl +++ /dev/null @@ -1,53 +0,0 @@ -{"question": "What is the size of the table in the picture?", "answer": "19 rows × 5 columns", "id": "131.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "9 rows × 5 columns", "id": "134.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "24 rows × 3 columns", "id": "135.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "4 rows × 7 columns", "id": "1300.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "10 rows × 5 columns", "id": "1301.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "9 rows × 4 columns", "id": "1302.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "8 rows × 4 columns", "id": "1303.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "6 rows × 4 columns", "id": "1304.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "3 rows × 4 columns", "id": "1305.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "4 rows × 4 columns", "id": "1306.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "3 rows × 4 columns", "id": "1307.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "10 rows × 8 columns", "id": "1308.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "13 rows × 6 columns", "id": "1309.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "14 rows × 10 columns", "id": "1310.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "15 rows × 5 columns", "id": "1311.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "8 rows × 5 columns", "id": "1314.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "9 rows × 4 columns", "id": "1315.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "11 rows × 5 columns", "id": "1316.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "22 rows × 7 columns", "id": "1317.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "10 rows × 7 columns", "id": "1318.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "20 rows × 3 columns", "id": "1319.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "17 rows × 5 columns", "id": "1320.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "12 rows × 6 columns", "id": "1321.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "11 rows × 6 columns", "id": "1322.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "13 rows × 5 columns", "id": "1323.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "12 rows × 8 columns", "id": "1324.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "8 rows × 8 columns", "id": "1325.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "14 rows × 3 columns", "id": "1326.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "14 rows × 10 columns", "id": "1327.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "16 rows × 9 columns", "id": "1328.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "4 rows × 7 columns", "id": "1329.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "10 rows × 7 columns", "id": "1330.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "11 rows × 5 columns", "id": "1331.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "15 rows × 6 columns", "id": "1332.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "14 rows × 3 columns", "id": "1333.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "9 rows × 7 columns", "id": "1334.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "13 rows × 5 columns", "id": "1335.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "19 rows × 10 columns", "id": "1336.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "6 rows × 3 columns", "id": "1337.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "8 rows × 5 columns", "id": "1338.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "5 rows × 6 columns", "id": "1339.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "8 rows × 8 columns", "id": "1340.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "21 rows × 6 columns", "id": "1341.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "18 rows × 8 columns", "id": "1342.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "9 rows × 5 columns", "id": "1343.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "15 rows × 8 columns", "id": "1344.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "4 rows × 4 columns", "id": "1345.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "8 rows × 5 columns", "id": "1346.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "12 rows × 4 columns", "id": "1347.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "4 rows × 3 columns", "id": "1348.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "15 rows × 6 columns", "id": "1349.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "4 rows × 4 columns", "id": "1350.png", "unable_to_answer": false} -{"question": "What is the size of the table in the picture?", "answer": "6 rows × 4 columns", "id": "1351.png", "unable_to_answer": false} diff --git a/ChemTable/question/title_qa.jsonl b/ChemTable/question/title_qa.jsonl deleted file mode 100644 index 87dd601958fa6334bfb99f44239f2e1d75439b2a..0000000000000000000000000000000000000000 --- a/ChemTable/question/title_qa.jsonl +++ /dev/null @@ -1,53 +0,0 @@ -{"question": "What is the title of this table?", "answer": "Optimization of the coupling of aryl chlorides with lithium alkynyls.", "id": "131.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Screening of other coupling partners.", "id": "134.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the reaction conditions.", "id": "135.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Dicarbonylation of trans-1,2-cyclohexanediol 1a:Investigation of the catalyst loading.", "id": "1300.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Palladium-catalyzed dicarbonylation of trans-1,2-cyclohexane-diol 1a with 1-octene 2a: Variation of reaction conditions.", "id": "1301.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Selected examples of the optimization of the copper-catalyzed silylation of 2H-azirines.[a]", "id": "1302.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Catalyst screening.", "id": "1303.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Solvent screening.", "id": "1304.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Additive screening.", "id": "1305.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Base screening.", "id": "1306.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "McQuade's N-heterocyclic carbene/copper-catalyzed silylation of 2H-aziridines.", "id": "1307.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Physical properties of DBMP containing polymers with data for PIM-1 and PIM-1-AO included for comparison.", "id": "1308.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Reaction optimization.", "id": "1309.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of reaction conditions for the asymmetric oxidative ring-expansion of methylenecyclobutanes.", "id": "1310.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Ligand screening conditions for the asymmetric oxidative ring-expansion of methylenecyclobutanes.", "id": "1311.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Composition (measured by ICP) and mean diameter of the Mn_3O_4:M nanoparticles (from TEM).", "id": "1314.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Screening of Conditions for the Pd-Catalyzed Arylation of 11a", "id": "1315.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Pd-Catalyzed Arylation of 2a with Iodobenzenea", "id": "1316.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "HCS Model Reaction Screening", "id": "1317.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimized Conditions and Control Experiments for the Visible-Light-Mediated Oxidative Debenzylation Using Catalytic and Stoichiometric Amounts of DDQa", "id": "1318.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Reaction Conditionsa", "id": "1319.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of di-ortho substituted hydrazone formation", "id": "1320.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Pressure, Solvent, and Catalyst Loading Parametersa", "id": "1321.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Screening Program for Suitable Reaction Conditions for the DAAA", "id": "1322.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Allenoate Claisen Reactiona", "id": "1323.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Screening of HSC Reaction Conditions with Substituted Reagents", "id": "1324.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of di-ortho substituted C-H insertion", "id": "1325.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Allylic Oxidation Conditions", "id": "1326.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Reaction Conditions on Aryl Bromide Substrates", "id": "1327.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the hydrazone formation from ketone 26", "id": "1328.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimized reaction conditions and control experiments for Protocol A.a", "id": "1329.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimized reaction conditions and control experiments for Protocol B.a", "id": "1330.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Reduction of Anthracene with SmI_2(H_2O)_n", "id": "1331.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Reduction of Stilbene with SmI_2(H_2O)_n", "id": "1332.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Reaction Conditions a", "id": "1333.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the decarboxylation of dicarboxylic acid 1,contd.", "id": "1334.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of N-H Insertion a", "id": "1335.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of 1a/2a Coupling in Conventional Solventsa", "id": "1336.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Base optimization with 1a•HCl.a", "id": "1337.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the base", "id": "1338.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimized Organocatalytic α-Chlorination of Citronellal a", "id": "1339.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Selected Optimization Studies", "id": "1340.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Reaction Conditions for the Direct Propargylation of CoQ0a", "id": "1341.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the hydrolysis conditions of 15", "id": "1342.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Cyclodehydrationa", "id": "1343.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of 1a/2a Coupling in Sustainable Solvents Promoted by mpg-CNa", "id": "1344.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Catalyst loading optimization. a", "id": "1345.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the temperature", "id": "1346.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Reaction Conditions for the Synthesis of (S)-1 a", "id": "1347.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimizing Workup and Purification", "id": "1348.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of the Decarboxylation of Dicarboxylic Acid 1a", "id": "1349.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Temperature optimization.a", "id": "1350.png", "unable_to_answer": false} -{"question": "What is the title of this table?", "answer": "Optimization of Boc-Trp(Boc)-H (1e)and Acetylacetone(2a) a", "id": "1351.png", "unable_to_answer": false} diff --git a/ChemTable/question/visual_reasoning.jsonl b/ChemTable/question/visual_reasoning.jsonl deleted file mode 100644 index e52ecd33f8623ad343f35d923ac3cfacff4b5c28..0000000000000000000000000000000000000000 --- a/ChemTable/question/visual_reasoning.jsonl +++ /dev/null @@ -1,24 +0,0 @@ -{"question": "Is the table header marked in light gray?", "answer": "Yes", "id": "1315.png", "unable_to_answer": false, "aspect": "color"} -{"question": "What is the substance marked in red in the diagram?", "answer": "O", "id": "1316.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Are there any bolded items in the table?", "answer": "Yes", "id": "1318.png", "unable_to_answer": false, "aspect": "bold"} -{"question": "Is there any content marked in red in the table?", "answer": "No", "id": "1321.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Are the table headers bolded?", "answer": "No", "id": "1322.png", "unable_to_answer": false, "aspect": "bold"} -{"question": "Is the content in the table header marked in light gray?", "answer": "Yes", "id": "1327.png", "unable_to_answer": false, "aspect": "color"} -{"question": "What is the substance marked in green in the table?", "answer": "Unable to answer.", "id": "1306.png", "unable_to_answer": true, "aspect": "color"} -{"question": "What is the substance marked in blue in the figure?", "answer": "Me", "id": "1333.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Is the table header marked in light gray?", "answer": "Yes", "id": "1337.png", "unable_to_answer": false, "aspect": "color"} -{"question": "What is the substance marked in blue in the table?", "answer": "TMS", "id": "1341.png", "unable_to_answer": false, "aspect": "color"} -{"question": "What is the entry of the row highlighted in light gray in the table?", "answer": "2", "id": "1350.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Are the contents of the table headers bolded?", "answer": "Yes.", "id": "1325.png", "unable_to_answer": false, "aspect": "bold"} -{"question": "What is the entry number of the row highlighted in light gray in the table?", "answer": "3", "id": "1345.png", "unable_to_answer": false, "aspect": "color"} -{"question": "How many rows in the table are marked as light gray?", "answer": "4", "id": "1405.png", "unable_to_answer": false, "aspect": "color"} -{"question": "What is the substance marked in red in the figure?", "answer": "Bpin", "id": "1480.png", "unable_to_answer": false, "aspect": "color"} -{"question": "What is the substance marked in red in the table?", "answer": "Unable to answer", "id": "1435.png", "unable_to_answer": true, "aspect": "color"} -{"question": "What is the substance marked in blue in the diagram?", "answer": "H", "id": "1481.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Is there any content in the table that is bolded?", "answer": "Yes", "id": "1496.png", "unable_to_answer": false, "aspect": "bold"} -{"question": "What is the substance marked in blue in the table?", "answer": "Unable to answer.", "id": "1449.png", "unable_to_answer": true, "aspect": "color"} -{"question": "Is any content in the table highlighted in light gray?", "answer": "Yes.", "id": "1430.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Is there any content marked in red in the table?", "answer": "No.", "id": "1362.png", "unable_to_answer": false, "aspect": "color"} -{"question": "How many rows in the table are marked as light gray?", "answer": "4", "id": "1402.png", "unable_to_answer": false, "aspect": "color"} -{"question": "Is the table header bolded?", "answer": "Yes", "id": "1429.png", "unable_to_answer": false, "aspect": "bold"} -{"question": "Is the table header bolded?", "answer": "Yes", "id": "1433.png", "unable_to_answer": false, "aspect": "bold"} diff --git a/ChemTable/question/yield_and_conditions.jsonl b/ChemTable/question/yield_and_conditions.jsonl deleted file mode 100644 index 7f96e75835e9565ce18f192aa7469a9d62734338..0000000000000000000000000000000000000000 --- a/ChemTable/question/yield_and_conditions.jsonl +++ /dev/null @@ -1,23 +0,0 @@ -{"question": "What additive is used when the yield is at its highest?", "answer": "When the yield is at its highest, the additive used is NaPF_6.", "id": "1305.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the concentration of CuBr used when the yield is at its maximum?", "answer": "When the yield is at its maximum, the concentration of CuBr used is 2.0 mol%.", "id": "1326.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the highest yield of 4aa?", "answer": "The highest yield of 4aa is 93%.", "id": "1301.png", "unable_to_answer": false, "aspect": "cond2yield"} -{"question": "What is the minimum yield at a temperature of 60 degrees?", "answer": "At a temperature of 60 degrees, the minimum yield is 25%.", "id": "1327.png", "unable_to_answer": false, "aspect": "cond2yield"} -{"question": "By replacing THF with toluene, how much did the yield increase or decrease?", "answer": "By replacing THF with toluene, the yield decreased by 6%.", "id": "1302.png", "unable_to_answer": false, "aspect": "cond2yield"} -{"question": "What catalyst is used when the yield is at its highest?", "answer": "When the yield is at its highest, the catalyst used is Si-TsOH.", "id": "1323.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "When the concentration of 4a is at its highest, what are the respective concentrations of x, y, and z?", "answer": "When the concentration of 4a is at its highest, the concentration of x is 0.25 mol%, y is 1 mol%, and z is 2 mol%.", "id": "1300.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What catalyst is used when the yield is highest?", "answer": "When the yield is highest, the catalyst used is Cu(OTf)_2.", "id": "1303.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What solvent is used when the yield is highest?", "answer": "The solvent used when the yield is highest is dry EtOH.", "id": "1310.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What solvent is used when the yield is the highest?", "answer": "When the yield is the highest, the solvent used is THF.", "id": "1304.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the base used when the yield is the lowest?", "answer": "When the yield is the lowest, the base used is LiOMe.", "id": "1306.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What are the catalyst and solvent used when the yield is highest?", "answer": "When the yield is highest, the catalyst used is PdCl_2 and the solvent is EtOH.", "id": "1309.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the maximum yield at a temperature of -8°C?", "answer": "At a temperature of -8°C, the maximum yield is 96%.", "id": "1325.png", "unable_to_answer": false, "aspect": "cond2yield"} -{"question": "What base is used when the yield is highest?", "answer": "The base used when the yield is highest is AgOAc.", "id": "1316.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What solvent is used when the yield is highest?", "answer": "When the yield is highest, the solvent used is PhMe.", "id": "1335.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the reaction time when the yield is at its highest?", "answer": "When the yield is at its highest, the reaction time is 24 hours.", "id": "1340.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the lowest yield when Sc(OTf)_3 is used as the catalyst?", "answer": "When Sc(OTf)_3 is used as the catalyst, the lowest yield is 0%.", "id": "1341.png", "unable_to_answer": false, "aspect": "cond2yield"} -{"question": "What base is used when the yield is at its highest?", "answer": "When the yield is at its highest, the base used is K_2CO_3.", "id": "1337.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What is the reaction temperature selected when the yield is at its highest?", "answer": "The reaction temperature selected when the yield is at its highest is 80 degrees.", "id": "1343.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What solvent is used when the yield of 3aa is at its highest?", "answer": "When the yield of 3aa is at its highest, the solvent used is EtOAc.", "id": "1344.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What acid is used when the yield is at its highest?", "answer": "The acid used when the yield is at its highest is Amberlyst-15.", "id": "1351.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "What solvent is used when the yield is at its highest?", "answer": "When the yield is at its highest, the solvent used is PhCF_3.", "id": "1347.png", "unable_to_answer": false, "aspect": "yield2cond"} -{"question": "How does the yield of 2a change when the concentration of CpRuCl(PPh_3)_2 is decreased from 10 mol% to 5 mol%?", "answer": "When the concentration of CpRuCl(PPh_3)_2 is decreased from 10 mol% to 5 mol%, the yield of 2a increases by 1%.", "id": "1345.png", "unable_to_answer": false, "aspect": "cond2yield"}