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The working philosophy of this spreadsheet is something like this The spread sheet asks for the following information 1 Tell me what and how many atoms are there in your molecules 2 Tell me what and how many molecules are there on either side of your reaction equation 3 Tell me one or more atoms of which molecules actually contribute to your desired molecule I will give you the following information 1 I will show you whether the reaction stoichiometry is balanced or not 2 I will show the mass balance for the reaction both in terms of mass and also the atom count 3 I will calculate the atom economy for two different conditions a) all reactants and reagents included in reaction input which convert into products or byproducts in reaction as well as workup irrespective of whether any of their constituents atoms get incorporated into the product molecule This is Atom economy at "synthesis level" based on overall reaction stoichiometry b) only reactants and reagents whose constituent atoms contribute to product molecule are included Atom economy at "reaction level" based on reaction stoichiometry leading to desired molecule
For more information contact iskswaroop@gmail.com I. S. Kanti Swaroop, M.Tech (Chemcial Engg), Process Engineer
Read me
Space below is for representing the schematic of reaction chemistry preferable using Chemdraw software or an equivalent
(Go further below of Row number 40 to see the table for stoichimetry balance)
Read me
Stage Wise
INPUT
Molecular Formula Molecular Weight 39.997109 36.460940
Number of Molecules participating in RXN
OUTPUT
Total input into RXN 40.00 36.46
Input which is actually considered part of final product
Consideration Consideration
Stage No.
S.No
Reactant / Reagent
Output Molecule(s)
Molecular Formula
(Y/N)
(Y/N)
Remarks
1 2
NaOH HCl
1 1
y y
40.00 36.46
Sodium chloride
NaCl H2O
water
1 1
y n
1
Total 76.46 76.46 76.46 58.44
ATOM ECONOMY (all reactants and reagents included which convert into products or byproducts) ATOM ECONOMY (only reactants and reagents which contribute to product molecule are included)
76.44
76.44
1 2
Carbon Oxygen
C O2
12.010700 31.998800
3 2
36.03 64.00
y y
36.03 64.00
CO CO2
28.010100 44.009500
2 1
56.02 44.01
y n
56.02
2
Total 100.03 100.03 100.03 56.02
ATOM ECONOMY (all reactants and reagents included which convert into products or byproducts) ATOM ECONOMY (only reactants and reagents which contribute to product molecule are included)
56.00
56.00
3
Total
4
Total
5
Total
6
Total
7
Total
8
Total
INPUT Overall
S.No Reactant / Reagent Molecular Formula Number of Molecular Molecules Total input Weight participatin into RXN g in RXN
Input which is actually considered part of final product
Consideration
OUTPUT
Consideration
Output Molecule(s)
Molecular Formula
(Y/N)
(Y/N)
Remarks
Total
H
1 1 0 0 0
N
0 0 0 0 0
O
1 0 0 0 0
S
0 0 0 0 0
P
0 0 0 0 0
B
0 0 0 0 0
Si
0 0 0 0 0
Li Na K Mg Ca Al
0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
F
0 0 0 0 0
Cl Br
0 1 0 0 0 0 0 0 0 0
I
0 0 0 0 0
Fe Cu Mn Cr Ag Pd Mo Pb Zn Sn
0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0
INPUT
OUTPUT
0
0 0 0 0 0
2
0 2 0 0 0
0
0 0 0 0 0
1
0 1 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
1
1 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
1
1 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
1 0 0 0 0
2 0
0 0 0 0 0
0 0
0 0 0 0 0
1 0
0 2 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
1 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
1 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
3
1 1 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
4
1 2 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
carbon dioxide
3 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
4 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
INPUT
Total
3 OUTPUT
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
INPUT
Total
4 OUTPUT
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
INPUT
Total
5 OUTPUT
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
INPUT
Total
6 OUTPUT
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
INPUT
Total
7 OUTPUT
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
0 0
0 0 0 0 0
INPUT
Total
OUTPUT
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0
0 0 0 0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
0 0
READ ME
1 2 3 4 5 6 7 8 9 12 13
14 Mol Wt from Literature No Yes 264.12
S.No
Name
Abbreviated Name(s)
Acronym
CAS No.
Formula
Molecular Weight
98.9591600 264.3153600 234.3770400 205.3391200 85.0614200 60.0950200 173.1680800 212.2008200 290.3972400 276.4137200 312.4674200 176.2117800 174.1959000 60.0519600 102.0886400 41.0519200 78.4976200 126.1531000 133.3405386 78.0035586 53.4914600 35.0458000 107.1530600 61.8330200 117.1700000 13.8348200 12.0107000 44.0095000 28.0101000 119.3776400 84.9325800 74.1216000 101.1900000 78.1334400 46.0684400 88.1051200 167.0011800 130.1848600 86.1753600 86.1753600 36.4609400 2.0158800 27.0253400 1.0079400 34.0808800 33.0299200 102.1747600 37.9542986 23.9483400 133.8454700
Remarks
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50
1,2-dichloroethane 18-crown-6-ether 2-(4-octylphenyl)ethanol 2,6-di-tert-butyl-4-methylpyridine 2-Cyanoacetic acid 2-Propanol 2-Vinylisoindoline-1,3-dione 3-Methoxyacenaphthylene-1,2dione 4-octanoylphenethyl acetate 4-octylphenethyl acetate 4-octylphenethyl methanesulfonate 7-Methoxy-1-tetralone 7-Methoxynaphthalen-1-ol Acetic acid Acetic anhydride Acetonitrile Acetyl chloride Allyl methacrylate Aluminium Chloride (Anhydrous) Aluminium Hydroxide Ammonium Chloride Ammonium Hydroxide Benzylamine Boric Acid Boron Trichloride Boron Trihydride Carbon Carbon Dioxide Carbon Monoxide Chloroform Dichloromethane Diethylether Diisopropylamine Dimethyl sulfoxide Ethanol Ethyl Acetate Ethyl bromoacetate Heptanoic Acid Hexane hexanes Hydrochloric Acid Hydrogen Hydrogen Cyanide Hydrogen Ion Hydrogen Sulfide Hydroxylamine Isopropyl ether Lithium Aluminium Hydride Lithium Hydroxide Lithium Iodide
EDC
DCE
Ethylene dichloride
107-06-2 17455-13-9
AGM-PAT-03-KSM Yes FNM-001-01, KSM for Fingolimod Scheme-1. Info No not available No Liquid FNM-001-02. Info not available
Liquid
7-methoxy-3,4dihydronaphthalen-
6836-19-7
C2H3N CH3COCl C7H10O2 AlCl3 Al(OH)3 NH4Cl NH4OH C7H9N H3BO3 BCl3 BH3 C CO2 CO CHCl3 CH2Cl2 C4H10O C6H15N C2H6OS C2H5OH C4H8O2 C4H7O2Br C7H14O2 C6H14 HCl H2 HCN H+ H2S
Yes No Yes No No No No
126.15
0.9810
Liquid
Borane
13283-31-3
119.38 74.12
101.19
DCM
Methylene dichloride
75-09-2
1.3260
Liquid
78.13
Ethyl ethanoate
(Ethoxycarbonyl)methyl bromide, Antol
Liquid Liquid Liquid Liquid Liquid 36 - 38% w/w Assay Aq. Solutin. Gas
No No
Enanthic acid; Oenanthic acid; nHeptylic acid; nHeptoic acid n-Hexane Muriatic Acid, Hydrogen Chloride
Yes
130.18
No No No No Yes No No 27.03
7803-49-8
1.2100
Solid
Decomposes at B.Pt
No Yes 102.18
0.9170 4.0760
Solid Solid
Decomposes at M.Pt
No No No
51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81
Methanesulfonyl chloride Methanol N,N-DIISOPROPYLETHYLAMINE Octanoyl Chloride oxoborane Oxygen Pentane Phenyl ethylacetate Phosphoric Acid Phosphorus pentoxide Polyphosphoric Acid Potassium Carbonate Potassium Pthalimide Propyl methacrylate Pthalic acid pthalimide p-Toluene Sulfonic Acid p-Tolune Sulfonyl Chloride Pyridine Pyridine.HCl Salt Raney Nickel Sodium acetate Sodium amide Sodium Bicarbonate Sodium Borohydride Sodium Hydroxide Sodium isopropoxide sodium trimethoxy borohydride Sulfur Sulfur dioxide Tetrahydrofuran
2-Phenylethyl acetate
CH3ClO2S CH4O C8H19N C8H15ClO HBO O2 C5H12 C10H12O2 H3PO4 P4O10 H6P4O13 K2CO3 C8H4KNO2 C7H12O2 C8H6O4 C8H5NO2 C7H8O3S C7H7ClO2S C5H5N C5H5N.HCl C2H3NaO2 NaNH2
114.5513200 32.0418600 129.2431600 162.6571000 27.8183400 31.9988000 72.1487800 164.2010800 97.9951820 283.8890480 337.9348880 138.2055000 185.2211600 128.1689800 166.1308400 147.1308000 172.2016200 190.6472800 79.0999000 115.5608400
No No Yes No No No 129.25
Liquid Liquid
No No Yes 98.00
Solid
Sublimes at B.Pt
Solid
Yes Yes
p-TSA p-TsCl
TsOH Tosylic acid, tosic acid 104-15-4 TsCl Tosyl Chloride, 4Toluenesulfonyl chloride 98-59-9
190.65 79.10
82.0337893 39.0123493 84.0066093 37.8325293 39.9971093 82.0768493 127.9104693 32.0650000 64.0638000 72.1057200 2.1730 Solid
82.03 39.01
144-55-8
No Yes 37.83
1310-73-2
2.1300
Solid
No No No
1.9950 0.8892
Solid Liquid
No No No
THF
1,4-epoxybutane sulfurous oxychloride, sulfurous dichloride, sulfinyl chloride, sulfinyl dichloride, dichlorosulfoxide
109-99-9
82
Thionyl Chloride
7719-09-7
SOCl2
118.9704000
1.6380
Liquid
No
83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100
Triethylamine Triethylamine.HCl Salt Triethylsilane Triflic Acid Triflic Anhydride Trifluoroacetic acid Trifluoroacetic anhydride Triphenylphosphine palladium Tripropoxy borate TsOK Salt Water Zinc Zinc Bromide Zinc Chloride Zinc Hydroxide Sodium Methoxide 2-Acetyl-6-Methoxy napthalene Sodium chloride
TEA
N,N-Diethylethanamine 121-44-8
C6H15N C6H15N.HCl C6H16Si CF3SO3H C2F6O5S2 C2F3O2H C4F6O3 C72H60P4Pd B(OC3H7)3 CH3C6H4SO3K H2O Zn ZnBr2 ZnCl2 Zn(OH)2 NaOCH3 C13H12O2 NaCl
101.1900000 137.6509400 116.2767400 150.0770496 282.1388192 114.0233496 210.0314192 1155.5618480 188.0722400 210.2919800 18.0152800 65.4090000 225.2170000 136.3150000 99.4236800 54.0236893 200.2331800 58.4427693
0.7260
Liquid
No No
TES
617-86-7 Trifluoromethanesulfon ic acid Trifluoromethanesulfon ic anhydride trifluoroethanoic acid, 76-05-1 perfluoroacetic acid 407-25-0 Pd(PPh3)4, Tetrakis Palladium
0.7280 1.6960
Liquid
TFA TFAA
1.4800 1.4870
Liquid Liquid
No No Yes No No 1155.56
1.0000
Liquid
No No No No No
NaOMe 2-AMN
solid
No No No
101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150
#VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE! #VALUE!
C 12.0107
H 1.00794
N 14.0067
O 15.9994
P 30.973762
Si 28.0855
32.065
10.811
24.305
40.078
35.453
79.904
55.845
63.546
106.42
65.409
2 4 12 24 16 26 14 23 3 3 10 13 3 8 7 8
2 6 1 1 1 1 2 1 2 3 3 2 3 2 2 2 3 1 1 2 3 1 1 1 1 3 1 1 1 1 1 1 3 1 1
18 26 18 28 17 28 11 12 11 10 2 4 2 2 7 4 6 3 3 10 3 4 5 9 3 3 1 1 1 1 1 4 6 2 2 4 4 7 6 6
2 1 1 2 10 15 6 6 8 7 14 14 14 1 1 1 1 1 1 1 1 1 1 1 1 1 3 2 1 1 1 1 2 2 2 1
2 1 1 2 3
14 4 1
118.71
6.941
95.94
207.2
1 1 8 8
3 4 19 15 1
2 1 1 1 1 2 2 4 10
1 1
5 12 10 12 3
1 4 4 2 1
6 1 8 7 8 8 7 7 5 5 2 1 4 12 6 5 8 7 5 6 3 2 1 4 1 7 10
13 3 1 2 2 4 1 2 3 2 1 1 2 1 3 1 1
1 1 1 1 1 1 1 3 2 1 1 1 1 1 1 1
3 3
6 6 6 1 2 2 4
15 16 16 1
1 1 1 3 5 1 2 3 6 3 6 4 3 3 1 1 1 1 1 1 1 1 1 1
2 3
72 60 9 7 21 7 2
2 2 2 1 3 13 12 2 1 2 1 1 1