\documentclass[DIV10]{cnpkgdoc} \docsetup{ pkg = mychemistry, title = mychemistry -- examples, subtitle = Create Reaction Schemes with \LaTeXe\ and Chemfig , code-box = { skipbelow = .5\baselineskip plus .5ex minus .5ex , skipabove = .5\baselineskip plus .5ex minus .5ex , roundcorner = 3pt , innerleftmargin = 1.5em , innerrightmargin = 1.5em } } \addcmds{ @addtoreset, anywhere, arrow, branch, celsius, ch, chemabove, chemand, chembelow, chemfig, chemname, cmpd, colorlet, command, draw, elmove, floatstyle, fpch, fplus, fscrm, fscrp, Hpl, iupac, lewis, Lewis, listof, makeinvisible, makevisible, marrow, mch, mCsetup, mech, mesomeric, N, node, para, pch, phantom, reactant, restylefloat, setarrowlabel, setarrowlength, setarrowline, setatomsep, setatomsize, setbondlength, setbondshape, setcrambond, setmergelength, setrcndist, setrxnalign, setschemealign, setschemename, SI, text, therxnscheme, tikzset, trans, transition } \chemsetup[option]{circled=all} \usepackage{chemnum} \usepackage{fnpct} \usepackage{booktabs} \usepackage{siunitx} \usepackage{scrhack} \TitlePicture{% \parbox{.7\linewidth}{% Since the documentation is already long enough I decided to provide an extra file containing only examples and a few words where to find possibly interesting code.\par For all the undocumented little macros like \cmd{fscrp} or \cmd{delm} have a look in the \paket*{chemmacros} documentation. } } \begin{document} \section{Addition Reaction}\label{sec:addition} A simple reaction scheme with two different products. \begin{rxnscheme}{Addition Reaction} \reactant{ \chemfig{=_[::-30]-[::60](=[::60]O)-[::-60]} } \arrow{ $+ \Hpl$ }{} \mesomeric[,rf]{ \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\fplus)-[::-60]} } \marrow[below] \reactant[below]{ \chemfig{\fplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} } } \branch[right=of rf,,yshift=3em]{ \arrow{}{} \reactant{ \chemname{\chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120]R)-[::-60]}}{1,2-adduct} } } \branch[right=of rf,,yshift=-5em]{ \arrow{}{} \reactant{ \chemname{\chemfig{R-[6]-[:-30]=_[::60](-[::60]OH)-[::-60]}}{1,4-adduct} } } \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}[,]{Addition Reaction} \reactant{ \chemfig{=_[::-30]-[::60](=[::60]O)-[::-60]} } \arrow{ $+ \Hpl$ }{} \mesomeric[,rf]{ \reactant{ \chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120,.3,,,white]\fplus)-[::-60]} } \marrow[below] \reactant[below]{ \chemfig{\fplus-[6,.3,,,white]-[:-30]=_[::60](-[::60]OH)-[::-60]} } } \branch[right=of rf,,yshift=3em]{ \arrow{}{} \reactant{ \chemname{\chemfig{=_[:-30]-[::60](-[::60]OH)(-[::-120]R)-[::-60]}}{1,2-adduct} } } \branch[right=of rf,,yshift=-5em]{ \arrow{}{} \reactant{ \chemname{\chemfig{R-[6]-[:-30]=_[::60](-[::60]OH)-[::-60]}}{1,4-adduct} } } \end{rxnscheme} \end{beispiel} \section{Mesomerism} \begin{rxnscheme}[,,,.8]{Mesomerism} \setatomsep{1.6em} \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \cmpd{benzene}} } \arrow[,,2.8]{}{} \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} } \arrow[start.below,,,pfeil_a]{\ch{Br2} / \ch{AlBr3}}{$-\ch{AlBr4-}$} \mesomeric[pfeil_a.below,mesomerism,xshift=8.5em,yshift=-2.5em]{ \reactant{ \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\fplus)-[@{e2}])} \elmove{e1}{60:4mm}{e2}{0:4mm} } \marrow \reactant{ \chemfig{*6(-(-[:90,.4,,,white]\fplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)} \elmove{e3}{180:4mm}{e4}{150:4mm} } \marrow \reactant{ \chemfig{*6(-=-(-[:-150,.4,,,white]\fplus)-(-[:120]Br)(-[:60]H)-=)} } } \branch[above=of mesomerism,,xshift=7.5em]{ \arrow[above]{$-\Hpl$}{} } \end{rxnscheme} If you put something relative to an arrow you might have to consider that the arrow's anchor point is in the middle of the arrow. That's why \cmd{mesomeric} is shifted with \code{yshift=-2.5em} in line 9. \begin{beispiel}[code only] \begin{rxnscheme}[,,,.8]{Mesomerism} \setatomsep{1.6em} % main reaction: \reactant[,start]{ \chemname{\chemfig{*6(-=-=(-[,,,,white]\phantom{Br})-=)}}{benzene \cmpd{benzene}} } \arrow[,,2.8]{}{} \reactant{ \chemname{\chemfig{*6(-=-=(-Br)-=)}}{bromobenzene \cmpd{bromobenzene}} } % branch: \arrow[start.below,,,pfeil_a]{\ch{Br2} / \ch{AlBr3}}{$-\ch{AlBr4-}$} \mesomeric[!!pfeil_a.below!!,mesomerism,xshift=8.5em,!!yshift=-2.5em!!]{ \reactant{ \chemfig{*6(=[@{e1}]-=-(-[:120]Br)(-[:60]H)-(-[:-30,.4,,,white]\fplus)-[@{e2}])} \elmove{e1}{60:4mm}{e2}{0:4mm} } \marrow \reactant{ \chemfig{*6(-(-[:90,.4,,,white]\fplus)-[@{e4}]=[@{e3}]-(-[:120]Br)(-[:60]H)-=)} \elmove{e3}{180:4mm}{e4}{150:4mm} } \marrow \reactant{ \chemfig{*6(-=-(-[:-150,.4,,,white]\fplus)-(-[:120]Br)(-[:60]H)-=)} } } % last arrow inside a branch, since it cannot be shifted by itself: \branch[above=of mesomerism,,xshift=7.5em]{ \arrow[above]{$-\Hpl$}{} } \end{rxnscheme} \end{beispiel} \section{The Former Titlepage} This scheme used to be on the title page of the examples file. It isn't any more but here's the scheme, anyway. \begin{rxnscheme}[,,,.7]{The Titlepage} \setatomsep{1.5em}\footnotesize \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} } \arrow[a.20]{}{} \reactant[20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\fplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} } \arrow[,,1.42]{$-\ch{H2O}$}{} \reactant{ \chemfig{\chembelow{C}{\fplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{} \arrow[a.-20,-|>]{}{} \reactant[-20]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\fplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} } \arrow[,,1.42]{$-\ch{H2O}$}{} \reactant[,end]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\fplus}(-[2]CH_3)-CH_3} } \anywhere{below=of end}{} \end{rxnscheme} \begin{beispiel}[code only] \begin{rxn}[,.7] \setatomsep{1.5em}\footnotesize % reaction above: \reactant[,a]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[6]OH)-CH_3} } \arrow[a.45]{}{} \reactant[45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[@{e1}6,,,2]H_2@{e2}\chembelow{O}{\fplus})-C(-[2]CH_3)(-[6]OH)-CH_3}\elmove{e1}{10:4mm}{e2}{-10:4mm} } \arrow[,,1.42]{$-\ch{H2O}$}{} \reactant{ \chemfig{\chembelow{C}{\fplus}(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))-C(-[2]CH_3)(-[6]OH)-CH_3} }{} % going down: \arrow[a.-45,-|>]{}{} \reactant[-45]{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-C(-[2]CH_3)(-[@{e3}6]@{e4}\chembelow{O}{\fplus}H_2)-CH_3}\elmove{e3}{170:4mm}{e4}{-170:4mm} } \arrow[,,1.42]{$-\ch{H2O}$}{} \reactant{ \chemfig{C(-[4]*6(=-=-=-))(-[2]*6(=-=-=-))(-[6,,,2]HO)-\chembelow{C}{\fplus}(-[2]CH_3)-CH_3} } \end{rxn} \end{beispiel} \section{Condensation Reaction} \begin{rxnscheme}{Condensation Reaction} \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} \chemand \reactant{\chemfig{**6(----(-OH)-(-HOCH_2)-)}} \arrow[,-+>]{}{\ch{H2O}} \reactant{\chemfig{**6(---(-CH_2-[:-30]O-[:30]CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} \arrow[-90,-+>,,dec]{}{\ch{CH2O}} \anywhere{dec.180,,xshift=-.2em}{\SI{200}{\celsius}} \reactant[-90,target]{\chemfig{**6(---(-CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} \branch[left=of target]{ \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} \chemand \reactant{\chemfig{**6(----(-OH)-(-H)-)}} \arrow[,-+>]{}{\ch{H2O}} } \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}{Condensation Reaction} \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} \chemand \reactant{\chemfig{**6(----(-OH)-(-HOCH_2)-)}} \arrow[,-+>]{}{\ch{H2O}} \reactant{\chemfig{**6(---(-CH_2-[:-30]O-[:30]CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} \arrow[-90,-+>,,dec]{}{\ch{CH2O}} \anywhere{dec.180,,xshift=-.2em}{\SI{200}{\celsius}} \reactant[-90,target]{\chemfig{**6(---(-CH_2-[:-30]**6(-----(-OH)-))-(-OH)--)}} \branch[left=of target]{ \reactant{\chemfig{**6(---(-CH_2OH)-(-OH)--)}} \chemand \reactant{\chemfig{**6(----(-OH)-(-H)-)}} \arrow[,-+>]{}{\ch{H2O}} } \end{rxnscheme} \end{beispiel} \section{Substitution vs. Elimination} \begin{rxnscheme}{Substitution vs. Elimination} % first reaction: \reactant[,start_a]{\chemfig{@{H}H-[@{b1}:-60]\chemabove{C}{\scriptstyle\beta}(<[:-100]H)(<:[:-150]H)-[@{b2}]\chemabove{C}{\scriptstyle\alpha}(<[:20]H)(<:[:60]H)-[@{b3}:-60]@{X1}X}} \arrow{E2}{} \reactant{\chemfig{H-[:60]C(-[:120]H)=C(-[:60]H)-[:-60]H}} \chemand \reactant{\ch{X-}} \chemand \reactant{\chemfig{O(-[:60]H)-[:-60]H}} % second reaction: \reactant[start_a.-90,start_b,yshift=-4em]{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-@{C}C(<[:20]H)(<:[:60]H)-[@{b4}:-60]@{X2}X}} \arrow{S$_\text{N}$2}{} \reactant{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-C(<[:-80]H)(<:[:-30]H)-[:60]OH}} \chemand \reactant{\ch{X-}} % nucleophile/base: \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\fscrm}}} % electron movements: \anywhere{nuc.0}{ \elmove{O}{90:1.5cm}{H}{180:1cm} \elmove{b1}{60:1cm}{b2}{90:5mm} \elmove{b3}{-170:5mm}{X1}{180:5mm} \elmove{O}{-90:1cm}{C}{100:1.5cm} \elmove{b4}{-170:5mm}{X2}{180:5mm} } \end{rxnscheme} You may see in line 20 that the \cmd{elmove} commands are put inside of \cmd{anywhere}. This is necessary in order to produce the right scheme. But this time you can position \cmd{anywhere} literally anywhere. \begin{beispiel}[code only] \begin{rxnscheme}{Substitution vs. Elimination} % first reaction: \reactant[,start_a]{\chemfig{@{H}H-[@{b1}:-60]\chemabove{C}{\scriptstyle\beta}(<[:-100]H)(<:[:-150]H)-[@{b2}]\chemabove{C}{\scriptstyle\alpha}(<[:20]H)(<:[:60]H)-[@{b3}:-60]@{X1}X}} \arrow{\mech[e2}{} \reactant{\chemfig{H-[:60]C(-[:120]H)=C(-[:60]H)-[:-60]H}} \chemand \reactant{\ch{X-}} \chemand \reactant{\chemfig{O(-[:60]H)-[:-60]H}} % second reaction: \reactant[start_a.-90,start_b,yshift=-4em]{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-@{C}C(<[:20]H)(<:[:60]H)-[@{b4}:-60]@{X2}X}} \arrow{\mech[2]}{} \reactant{\chemfig{H-[:-60]C(<[:-100]H)(<:[:-150]H)-C(<[:-80]H)(<:[:-30]H)-[:60]OH}} \chemand \reactant{\ch{X-}} % nucleophile/base: \anywhere{start_b.135,nuc,xshift=-3em,yshift=2em}{\chemfig{H-@{O}\chemabove{\lewis{026,O}}{\hspace{5mm}\fscrm}}} % electron movements: \anywhere{nuc.0}{ \elmove{O}{90:1.5cm}{H}{180:1cm} \elmove{b1}{60:1cm}{b2}{90:5mm} \elmove{b3}{-170:5mm}{X1}{180:5mm} \elmove{O}{-90:1cm}{C}{100:1.5cm} \elmove{b4}{-170:5mm}{X2}{180:5mm} } \end{rxnscheme} \end{beispiel} \section{Scheme with three Lines}\label{sec:three_lines} \begin{rxnscheme}{Scheme with three Lines} \setatomsep{1.5em} \footnotesize \reactant[,start]{\chemfig{EtO-(=[2]O)-[:-60](-Br)-[:-120](=[6]O)-[4]EtO}} \chemand \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\fscrm}(-[4,.7,,,draw=none]\chemabove{K}{\fscrp})-(=O)--)=)}} \arrow{}{} \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} % newline, started with \anywhere: \anywhere{start.-90,a,xshift=-4em,yshift=-5em}{} \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\fscrm}}{} \arrow{\ch{R-X}}{} \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} \arrow[,,1.25]{\Hpl/\ch{H2O}}{} \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]HO_2C)-[::60](=[::60]O)-[::-60]HO_2C)-(=O)--)=)}} % newline, started with \anywhere: \anywhere{a.-90,b,yshift=-7em}{} \arrow[b.0]{$- {\ch{CO2}}$}{} \arrow{\Hpl}{\ch{H2O}} \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\mch)-NH_3\pch}} \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}{Scheme with three Lines} \setatomsep{1.5em} \footnotesize \reactant[,start]{\chemfig{EtO-(=[2]O)-[:-60](-Br)-[:-120](=[6]O)-[4]EtO}} \chemand \reactant{\chemfig{*6(-=-=-*5(-(=O)-\chemabove{\lewis{4:,N}}{\fscrm}(-[4,.7,,,draw=none]\chemabove{K}{\fscrp})-(=O)--)=)}} \arrow{}{} \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} % newline, started with \anywhere: \anywhere{start.-90,a,xshift=-4em,yshift=-5em}{} \arrow[a.0,,.6]{\chemabove{\lewis{0:,B}}{\fscrm}}{} \arrow{\ch{R-X}}{} \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]EtO)-[::60](=[::60]O)-[::-60]EtO)-(=O)--)=)}} \arrow[,,1.25]{\Hpl/\ch{H2O}}{} \reactant{\chemfig{*6(-=-=-*5(-(=O)-N(-(-[4]R)(-[::-60](=[::-60]O)-[::60]HO_2C)-[::60](=[::60]O)-[::-60]HO_2C)-(=O)--)=)}} % newline, started with \anywhere: \anywhere{a.-90,b,yshift=-7em}{} \arrow[b.0]{$- {\ch{CO2}}$}{} \arrow{\Hpl}{\ch{H2O}} \reactant{\chemfig{R-(-[6]H)(-[2]C|O_2\mch)-NH_3\pch}} \end{rxnscheme} \end{beispiel} \section{Hydratisation}\label{sec:hydratisation} \pgfdeclaredecoration{ddbond}{initial}{% \state{initial}[width=2pt]{% \pgfpathlineto{\pgfpoint{2pt}{0pt}}% \pgfpathmoveto{\pgfpoint{1.5pt}{2pt}}% \pgfpathlineto{\pgfpoint{2pt}{2pt}}% \pgfpathmoveto{\pgfpoint{2pt}{0pt}}% }% \state{final}{% \pgfpathlineto{\pgfpointdecoratedpathlast}% }% }% \tikzset{lddbond/.style={decorate,decoration=ddbond}}% \tikzset{rddbond/.style={decorate,decoration={ddbond,mirror}}}% A scheme with transition states. \begin{rxnscheme}{Hydratisation} \reactant[,carbonyl_A]{\chemfig{R_2C=O}} \anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}} \arrow[,<=>]{\tiny slow}{} \transition[,transition_A]{\chemfig{R_2C(-[2,,2,,densely dotted]\chemabove{O}{\delp}(-[:150]H)-[:30]H)-[:-30,1.15,,,lddbond]O-[6,,,,densely dotted]H-[,,,,densely dotted]\chemabove{A}{\delm}}} \anywhere{below=of transition_A,,text width=3cm}{(general transition state, acid cat.)} \arrow[,<=>,.7]{}{} \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\fscrp}H_2)-[:-60]OH}} \arrow[below right,<=>,.7]{$-\Hpl$}{} \reactant[below right]{\chemfig{R_2C(-[:60]OH)-[:-60]OH}} \arrow[below left,<=>,.7]{}{\ch{H2O}} \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\mch}} \arrow[left,<=>,.7]{}{} \transition[left,transition_B]{\chemfig{R_2C(-[2,,2,,densely dotted]O(-[:150]H-[4,,,,densely dotted]\chemabove{B}{\delp})-[:30]H)-[:-30,1.15,,,lddbond]\chemabove{O}{\delm}-[6,,,,draw=none]\phantom{H}}} \anywhere{below=of transition_B,,text width=3cm}{(general transition state, base cat.)} \arrow[left,<=>]{}{\tiny slow} \reactant[left,carbonyl_B]{\chemfig{R_2C=O}} \anywhere{above=of carbonyl_B}{\chemfig{H-[:-30]O-[:30]H}} \end{rxnscheme} For this example we first declare a style for the delocalized double bonds: \begin{beispiel}[code only] \pgfdeclaredecoration{ddbond}{initial}{% \state{initial}[width=2pt]{% \pgfpathlineto{\pgfpoint{2pt}{0pt}}% \pgfpathmoveto{\pgfpoint{1.5pt}{2pt}}% \pgfpathlineto{\pgfpoint{2pt}{2pt}}% \pgfpathmoveto{\pgfpoint{2pt}{0pt}}% }% \state{final}{% \pgfpathlineto{\pgfpointdecoratedpathlast}% }% }% \tikzset{lddbond/.style={decorate,decoration=ddbond}}% \tikzset{rddbond/.style={decorate,decoration={ddbond,mirror}}}% \end{beispiel} Now the delocalized double bond can be used via \paket*{chemfig}'s fifth option (see the \paket{chemfig} manual): \begin{beispiel}[code only] \chemfig{-[,,,,lddbond]-[,,,,rddbond]} \end{beispiel} \chemfig{-[,,,,lddbond]-[,,,,rddbond]}\par\medskip Then the whole code looks like follows: \begin{beispiel}[code only] \begin{rxnscheme}{Hydratisation} \reactant[,carbonyl_A]{\chemfig{R_2C=O}} \anywhere{above=of carbonyl_A}{\chemfig{H-[:-30]O-[:30]H}} \arrow[,<=>]{\tiny slow}{} \transition[,transition_A]{\chemfig{R_2C(-[2,,2,,densely dotted]\chemabove{O}{\delp}(-[:150]H)-[:30]H)-[:-30,1.15,,,lddbond]O-[6,,,,densely dotted]H-[,,,,densely dotted]\chemabove{A}{\delm}}} \anywhere{below=of transition_A,,text width=3cm}{(general transition state, acid cat.)} \arrow[,<=>,.7]{}{} \reactant{\chemfig{R_2C(-[:60]\chemabove{O}{\fscrp}H_2)-[:-60]OH}} \arrow[below right,<=>,.7]{$-\Hpl$}{} \reactant[below right]{\chemfig{R_2C(-[:60]OH)-[:-60]OH}} \arrow[below left,<=>,.7]{}{\ch{H2O}} \reactant[below left,zw]{\chemfig{R_2C(-[:60]OH)-[:-60]O|\mch}} \arrow[left,<=>,.7]{}{} \transition[left,transition_B]{\chemfig{R_2C(-[2,,2,,densely dotted]O(-[:150]H-[4,,,,densely dotted]\chemabove{B}{\delp})-[:30]H)-[:-30,1.15,,,lddbond]\chemabove{O}{\delm}-[6,,,,draw=none]\phantom{H}}} \anywhere{below=of transition_B,,text width=3cm}{(general transition state, base cat.)} \arrow[left,<=>]{\tiny langsam}{} \reactant[left,carbonyl_B]{\chemfig{R_2C=O}} \anywhere{above=of carbonyl_B}{\chemfig{H-[:-30]O-[:30]H}} \end{rxnscheme} \end{beispiel} You can see that \cmd{anywhere} was used several times, either to place molecules or to label molecules. \section{Esterification}\label{sec:veresterung} \begin{rxnscheme}{Esterification} \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-H}} \arrow[,-+>,1.5,protolysis]{\ch{H2SO4}}{\ch{HSO4-}} \anywhere{below=of protolysis,,yshift=1em}{\tiny protolysis} \mesomeric{ \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\fscrp})-[:-60]O-H}} \marrow \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-H}} } \branch[below,,xshift=-5em]{ \arrow[below,<=>]{\chemfig{H-[:120]@{a1}O-[:60]CH_3}}{\tiny addition} \reactant[below]{\chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\fscrp}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H}\elmove{a1}{90:1.5cm}{a2}{0:3cm}} } \branch[left,,yshift=-3.5em]{ \arrow[left,<=>]{}{\tiny protolysis} } \reactant[left]{\chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\fscrp}(-[:-150]H)-[:-30]H}\elmove{b1}{0:5mm}{a3}{20:5mm}} \arrow[below,<=>]{$- {\ch{H2O}}$}{\tiny elimination} \mesomeric[below,,xshift=6em]{ \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\fscrp})-[:-60]O-CH_3}} \marrow \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-CH_3}} } \arrow[,-+>,1.5]{\ch{HSO4-}}{\ch{H2SO4}} \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-CH_3}} \end{rxnscheme} \begin{beispiel}[code only] \begin{rxn}{Esterification} \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-H}} \arrow[,-+>,1.2,protolysis]{\ch{H2SO4}}{\ch{HSO4-}} \anywhere{below=of protolysis,,yshift=1em}{\tiny protolysis} \mesomeric{ \reactant{\chemfig{H-@{a2}C(-[:60]O-H)(-[:30,.5,,,draw=none]{\fscrp})-[:-60]O-H}} \marrow \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-H}} } \branch[below,,xshift=-5em]{ \arrow[below,<=>]{\tiny addition}{\chemfig{H-[:120]@{a1}O-[:60]CH_3}} \reactant[below]{ \chemfig{H-C(-[2]O-[:30]H)(-\chemabove{O}{\fscrp}(-[:60]CH_3)-[:-60]H)-[6]O-[:-30]H} \elmove{a1}{90:1.5cm}{a2}{0:3cm} } } \branch[left,,yshift=-3.5em]{ \arrow[left,<=>]{}{\tiny protolysis} } \reactant[left]{ \chemfig{H-C(-[2]O-[:30]H)(-O-CH_3)-[@{b1}6]@{a3}\chemabove{O}{\hspace*{-4mm}\fscrp}(-[:-150]H)-[:-30]H} \elmove{b1}{0:5mm}{a3}{20:5mm} } \arrow[below,<=>]{$- {\ch{H2O}}$}{\tiny elimination} \mesomeric[below,,xshift=6em]{ \reactant{\chemfig{H-C(-[:60]O-H)(-[,.5,,,draw=none]{\fscrp})-[:-60]O-CH_3}} \marrow \reactant{\chemfig{H-C(=[:60]\chemabove{O}{\fscrp}-H)-[:-60]O-CH_3}} } \arrow[,-+>,1.2]{\ch{HSO4-}}{\ch{H2SO4}} \reactant{\chemfig{H-C(=[:60]O)-[:-60]O-CH_3}} \end{rxnscheme} \end{beispiel} \section{Electrophilic Addition}\label{sec:elektrophile_addition} This scheme forms a circle. \begin{rxnscheme}{Electrophilic Addition} \setarrowlength{3em} \reactant{\chemfig{>[:-20]C(<[:40])=[6]C(<[:-130])<[:-20]}} \chemand[,plus] \reactant{\chemfig{\lewis{246,Br}-\lewis{026,Br}}} \arrow[plus.-90,<=>]{\footnotesize fast}{} \reactant[-90,attack]{\chemfig{>[:-20]C(<[:40])=[@{db}6]C(<[:-130])<[:-20]}} \anywhere{right=of attack}{ \chemfig{@{Br1}\lewis{246,Br}-[@{b2}]@{Br2}\lewis{026,Br}} \elmove{db}{20:5mm}{Br1}{135:5mm} \elmove{b2}{-120:5mm}{Br2}{-120:5mm} } % to the left: \arrow[attack.-135,<=>,2]{$- {\ch{Br-}}$}{\footnotesize slow} \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\fscrp}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}} \anywhere{below=of carbenium_a}{\footnotesize carbenium ion} \arrow[,<<=>]{}{} \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\fscrp}}} \anywhere{below=of bromonium,,yshift=.35em}{\footnotesize bromonium ion} % to the right: \arrow[attack.-45,<=>,2]{\footnotesize slow}{$- {\ch{Br-}}$} \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\fscrp}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}} \anywhere{below=of carbenium_b}{\footnotesize carbenium ion} \arrow[left,<<=>]{}{} \mCsetup{reset} \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}{Electrophilic Addition} \setarrowlength{3em} \reactant{\chemfig{>[:-20]C(<[:40])=[6]C(<[:-130])<[:-20]}} \chemand[,plus] \reactant{\chemfig{\lewis{246,Br}-\lewis{026,Br}}} \arrow[plus.-90,<=>]{\footnotesize fast}{} \reactant[-90,attack]{\chemfig{>[:-20]C(<[:40])=[@{db}6]C(<[:-130])<[:-20]}} \anywhere{right=of attack}{ \chemfig{@{Br1}\lewis{246,Br}-[@{b2}]@{Br2}\lewis{026,Br}} \elmove{db}{20:5mm}{Br1}{135:5mm} \elmove{b2}{-120:5mm}{Br2}{-120:5mm} } % to the left: \arrow[attack.-135,<=>,2]{$- {\ch{Br-}}$}{\footnotesize slow} \reactant[-135,carbenium_a]{\vflipnext\chemfig{-[:-30]\chembelow{C}{\fscrp}(-[:30])-[6]C(<[:-150])(<:[:-100])-[:-30]\lewis{137,Br}}} \anywhere{below=of carbenium_a}{\footnotesize carbenium ion} \arrow[,<<=>]{}{} \reactant[,bromonium]{\chemfig{>:[:-60]C?(<[:160])-[6]C(<[:-110])(<:[:-150])-[:30]\lewis{17,Br}?-[4,.5,,,draw=none]{\fscrp}}} \anywhere{below=of bromonium,,yshift=.35em}{\footnotesize bromonium ion} % to the right: \arrow[attack.-45,<=>,2]{\footnotesize slow}{$- {\ch{Br-}}$} \reactant[-45,carbenium_b]{\chemfig{-[:-30]\chemabove{C}{\fscrp}(-[:30])-[6]C(<:[:-150])(<[:-100])-[:-30]\lewis{157,Br}}} \anywhere{below=of carbenium_b}{\footnotesize carbenium ion} \arrow[left,<<=>]{}{} \mCsetup{reset} \end{rxnscheme} \end{beispiel} \section{Activation of Fatty Acids}\label{sec:activation_fatty_acid} \begin{rxnscheme}{Activation of Fatty Acids} \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}} \anywhere{below right=of ATP,,xshift=-4em,yshift=3em}{\bfseries ATP} \arrow[below,,1.5]{}{\chemname{\chemfig{R-C(=[:-60]O)-[:60]@{O2}O-[@{b2}]H}}{fatty acid}} \branch[on chain=going below]{ \reactant[,pyrophosphat]{ \chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-\chemabove{O}{\hspace*{5mm}\fscrm}} \elmove{b1}{100:1cm}{O1}{90:5mm} \elmove{O2}{135:1cm}{P}{-135:1cm} \elmove{b2}{-90:5mm}{O2}{-60:5mm} } \anywhere{below=of pyrophosphat}{pyrophosphate PP$_\text{i}$} \chemand \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\fscrm})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]a|denine}} \anywhere{below=of acyl-amp}{\bfseries acyl-AMP} } \branch[on chain=going below,,xshift=-8em]{ \arrow[below]{\ch{H2O}}{} \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O}} \anywhere{below right=of Pi}{P$_\text{i}$} } \branch[,,xshift=4em]{ \arrow[below,-+>]{\chemfig{CoA-@{S}S-[@{b4}:-60]H}}{AMP} \reactant[below,acyl-SCoA]{ \chemfig{R-C(=[:-60]O)-[:60]S-CoA} \elmove{S}{45:3cm}{C}{-120:2cm} \elmove{b3}{135:5mm}{O3}{110:7mm} \elmove{b4}{-120:7mm}{S}{-100:5mm} } \anywhere{below=of acyl-SCoA}{acyl-SCoA} } \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}{Activation of Fatty Acids} \reactant[,ATP]{\chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-@{O1}O-[@{b1}]@{P}P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-CH_2-[6,1.5,1](-[6,.5])(-[:20,1.3]O?[a])<[7](-[2,.5])(-[6]OH)-[,,,,line width=3pt](-[2,.5])(-[6]OH)>[1]?[a](-[6,.5])-[2,1.5]N?[b]-[:18]([:30]*6(-N=-N=(-NH_2)-=))-[:90]-[:162]N=^[:-126]?[b]}} \anywhere{below right=of ATP,,xshift=-4em,yshift=3em}{\bfseries ATP} \arrow[below,,1.5]{\chemname{\chemfig{R-C(=[:-60]O)-[:60]@{O2}O-[@{b2}]H}}{fatty acid}}{} \branch[on chain=going below]{ \reactant[,pyrophosphat]{ \chemfig{\chemabove{O}{\hspace*{-5mm}\fscrm}-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-\chemabove{O}{\hspace*{5mm}\fscrm}} \elmove{b1}{100:1cm}{O1}{90:5mm} \elmove{O2}{135:1cm}{P}{-135:1cm} \elmove{b2}{-90:5mm}{O2}{-60:5mm} } \anywhere{below=of pyrophosphat}{pyrophosphate PP$_\text{i}$} \chemand \reactant[,acyl-amp]{\chemfig{R-@{C}C(=[:-60]O)-[@{b3}:60]@{O3}O-P(-[6]\chembelow{O}{\fscrm})(=[2]O)-O-CH_2-[6,,1,1]r|ibos|e-[2,1.05,3,1]A|denine}} \anywhere{below=of acyl-amp}{\bfseries acyl-AMP} } \branch[on chain=going below,,xshift=-8em]{ \arrow[below]{\ch{H2O}}{} \reactant[below,Pi]{2~\chemfig{HO-P(=[2]O)(-[6]\chembelow{O}{\fscrm})-O}} \anywhere{below right=of Pi}{P$_\text{i}$} } \branch[,,xshift=4em]{ \arrow[below,-+>]{\chemfig{CoA-@{S}S-[@{b4}:-60]H}}{AMP} \reactant[below,acyl-SCoA]{ \chemfig{R-C(=[:-60]O)-[:60]S-CoA} \elmove{S}{135:2cm}{C}{-135:1cm} \elmove{b3}{-45:5mm}{O3}{-70:7mm} \elmove{b4}{-120:7mm}{S}{-100:5mm} } \anywhere{below=of acyl-SCoA}{acyl-SCoA} } \end{rxnscheme} \end{beispiel} \section{Change the layout with \TikZ}\label{sec:tikz_layout} \begin{rxnscheme}{Change the layout with \TikZ} \colorlet{mCgreen}{green!50!gray} \colorlet{mCblue}{cyan!50!gray} \colorlet{mCred}{magenta!50!gray} \tikzset{reactant/.style={draw=#1,fill=#1!10,minimum width=.8\textwidth,inner sep=1em,rounded corners}} \mCsetup{arrowlength=3em,arrowline=very thick} \reactant[,,reactant=mCgreen]{ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine} } \arrow[below]{\iupac{\N\-acyl\|transferase}}{} \reactant[below,,reactant=mCblue]{ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60]-[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]-[::60]-[::-60]-[::60]-[6]}}{\bfseries\iupac{\N\-arachidonoyl\-PE}} } \arrow[below]{Phospholipase D}{} \reactant[below,,reactant=mCred]{ \chemname{\chemfig{HO-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60]-[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]-[::60]-[::-60]-[::60]-[6]}}{\bfseries Anandamide} } \mCsetup{reset} \end{rxnscheme} This is an example for the usage of the \code{} option. Please take a closer look at lines \numlist{5;7;11;15}. \begin{beispiel}[code only] \begin{rxnscheme}{Change the layout with \TikZ} \colorlet{mCgreen}{green!50!gray} \colorlet{mCblue}{cyan!50!gray} \colorlet{mCred}{magenta!50!gray} !!\tikzset{reactant/.style={draw=#1,fill=#1!10,minimum width=.8\textwidth,inner sep=1em,rounded corners}}!! \mCsetup{arrowlength=3em,arrowline=very thick} \reactant[,,!!reactant=mCgreen!!]{ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]NH_2}}{\bfseries Phosphatidylethanolamine} } \arrow[below]{}{\iupac{\N-acyl\|transferase}} \reactant[below,,!!reactant=mCblue!!]{ \chemname{\chemfig{Alky|l--[6](-[4,,,2]Acy|l)-[6]-O-P(=[2]O)(-[6]O|\mch)-O-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60] -[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]- [::60]-[::-60]-[::60]-[6]}}{\bfseries\iupac{\N\-arachidonoyl\-PE}} } \arrow[below]{}{Phospholipase D} \reactant[below,,!!reactant=mCred!!]{ \chemname{\chemfig{HO-[:-30]-[:30]-[:-30]\chembelow{N}{H}-[:30](=[2]O)-[:-30]-[:30]-[:-30]-[:30]=_-[:-30]-[:30]=_-[:-60] -[::-60]=_[:180]-[::-30]-[::60]=_[:180]-[::-30]- [::60]-[::-60]-[::60]-[6]}}{\bfseries Anandamide} } \mCsetup{reset} \end{rxnscheme} \end{beispiel} \section{Claisen-Kondensation} \begin{rxnscheme}{Claisen-Kondensation} \colorlet{mCred}{red!50!gray} \setatomsep{1.5em} % Ergebnis: \branch[,one,draw=mCred,fill=mCred!10,rounded corners,inner sep=.5em]{ \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} \chemand \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} \arrow[,,2]{\ch{NaOEt}, \ch{EtOH}}{} \reactant{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} } % Mechanismus: \branch[-90,,xshift=-13.5em]{ \arrow[-90,<<=>]{\ch{^-OEt}}{} } \mesomeric[-90,two,xshift=4.5em]{ \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\fscrm)-(=[2]O)-[:-30]O--[:-30]}} \marrow \reactant{\chemfig{[:30]=(-[2]O|\mch)-[:-30]O--[:-30]}} } \chemand \reactant{\ch{EtOH}} \branch[two.-90,three,xshift=-5.5em]{ \arrow[-90,<=>,,,both]{\chemfig[][scale=.7]{[:30]-@{C2}(=[@{b1}2]O@{O1})-[:-30]O--[:-30]}}{} } \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\mch)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}} \arrow[,<=>]{}{} \reactant[,four]{\chemfig{[:30]-(=[2]O)-[:-30]@{C3}(-[:-120]H)(-[@{b4}:-60]H@{H})-(=[2]O)-[:-30]O--[:-30]}} \chemand \reactant{\chemfig{\mch @{O4}OEt}} \arrow[four.-90]{}{} \mesomeric[-90]{ \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\mch)-[:-30]O--[:-30]}} \marrow \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\fscrm)-(=[2]O)-[:-30]O--[:-30]}} \marrow \reactant{\chemfig{[:30]-(-[2]O|\mch)=[:-30]-(=[2]O)-[:-30]O--[:-30]}} } \arrow[-90]{\Hpl, \ch{H2O}}{} \reactant[-90]{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} \anywhere{one.0}{ \elmove{C1}{-100:2cm}{C2}{-90:2cm} \elmove{b1}{10:5mm}{O1}{0:5mm} \elmove{O2}{180:5mm}{b2}{180:5mm} \elmove{b3}{80:5mm}{O3}{90:5mm} \elmove{b4}{0:5mm}{C3}{0:7mm} \elmove{O4}{-90:1cm}{H}{-45:1cm} } \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}{Claisen-Kondensation} \colorlet{mCred}{red!50!gray} \setatomsep{1.5em} % Ergebnis: \branch[,one,draw=mCred,fill=mCred!10,rounded corners,inner sep=.5em]{ \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} \chemand \reactant{\chemfig{[:30]-(=[2]O)-[:-30]O--[:-30]}} \arrow[,,2]{\ch{NaOEt}, \ch{EtOH}}{} \reactant{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} } % Mechanismus: \branch[-90,,xshift=-13.5em]{ \arrow[-90,<=>]{\ch{^-OEt}}{} } \mesomeric[-90,two,xshift=4.5em]{ \reactant{\chemfig{[:30](-[:150,.3,,,draw=none]@{C1}\fscrm)-(=[2]O)-[:-30]O--[:-30]}} \marrow \reactant{\chemfig{[:30]=(-[2]O|\mch)-[:-30]O--[:-30]}} } \chemand \reactant{\ch{EtOH}} \branch[two.-90,three,xshift=-5.5em]{ \arrow[-90,<=>,,,both]{\chemfig[][scale=.7]{[:30]-@{C2}(=[@{b1}2]O@{O1})-[:-30]O--[:-30]}}{} } \reactant[three.-90]{\chemfig{-(-[@{b2}2]@{O2}O|\mch)(-[6]-[:-30](=[6]O)-[:30]O-[:-30]-[:30])-[@{b3}]@{O3}O-[:30]-[:-30]}} \arrow[,<=>]{}{} \reactant[,four]{\chemfig{[:30]-(=[2]O)-[:-30]@{C3}(-[:-120]H)(-[@{b4}:-60]H@{H})-(=[2]O)-[:-30]O--[:-30]}} \chemand \reactant{\chemfig{\mch @{O4}OEt}} \arrow[four.-90]{}{} \mesomeric[-90]{ \reactant{\chemfig{[:30]-(=[2]O)-[:-30]=(-[2]O|\mch)-[:-30]O--[:-30]}} \marrow \reactant{\chemfig{[:30]-(=[2]O)-[:-30](-[6,.3,,,draw=none]\fscrm)-(=[2]O)-[:-30]O--[:-30]}} \marrow \reactant{\chemfig{[:30]-(-[2]O|\mch)=[:-30]-(=[2]O)-[:-30]O--[:-30]}} } \arrow[-90]{\Hpl, \ch{H2O}}{} \reactant[-90]{\chemfig{[:30]-(=[2]O)-[:-30]-(=[2]O)-[:-30]O--[:-30]}} \anywhere{one.0}{ \elmove{C1}{-100:2cm}{C2}{-90:2cm} \elmove{b1}{10:5mm}{O1}{0:5mm} \elmove{O2}{180:5mm}{b2}{180:5mm} \elmove{b3}{80:5mm}{O3}{90:5mm} \elmove{b4}{0:5mm}{C3}{0:7mm} \elmove{O4}{-90:1cm}{H}{-45:1cm} } \end{rxnscheme} \end{beispiel} \section{Extensive Synthesis}\label{sec:tikzsynthese} As last example we can create extensive syntheses, using the \cmd{merge} command. \begin{rxnscheme}[,,,.8]{Extensive Synthesis} \setatomsep{1.5em} \branch[,start_left]{ \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} \arrow[below]{\ch{HBr}}{} \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} } \branch[right=of start_left,start_center,yshift=1em]{ \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} \arrow[below]{\ch{NaOH}}{\ch{Zn}} \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} } \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{ \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{\iupac{3\-methyl\-2\-butenoic acid}}} \arrow[below]{\ch{CH3OH}}{} \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} } \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{ \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} } \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{ \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\fminus)-[::-60]CO_2CH_3}} \arrow[below,,.5]{}{} \arrow[below,,.5]{\ch{KOH}}{} \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\iupac{\trans\-chrysanthemum acid}}} } \merge{target_one}{start_left}{start_center} \merge[\ch{NaOCH3}]{target_two}{target_one}{start_right} \end{rxnscheme} \begin{beispiel}[code only] \begin{rxnscheme}[,,,.8]{Extensive Synthesis} \setatomsep{1.5em} \branch[,start_left]{ \reactant{\chemfig{=_[::30]-[::-60]-[::60](-[::-60])(-[::120])-[::0]OH}} \arrow[below]{\ch{HBr}}{} \reactant[below]{\chemfig{Br-[::30]-[::-60]=_[::60](-[::-60])-[::60]}} } \branch[right=of start_left,start_center,yshift=1em]{ \reactant{\chemname{\chemfig[][scale=.8]{**6(--(-SO_2Cl)---(-)-)}}{tosyle chloride}} \arrow[below]{\ch{NaOH}}{\ch{Zn}} \reactant[below]{\chemfig[][scale=.8]{**6(--(-SO_2Na)---(-)-)}} } \branch[right=of start_center,start_right,xshift=3em,yshift=-10em]{ \reactant{\chemname{\chemfig{-[::30](-[::60])=_[::-60]-[::60]COOH}}{\iupac{3\-methyl\-2\-butenoic acid}}} \arrow[below]{\ch{CH3OH}}{} \reactant[below]{\chemfig{-[::30](-[::60])=_[::-60]-[::60]CO_2CH_3}} } \branch[below=of start_left,target_one,xshift=5em,yshift=-5em]{ \reactant{\chemfig[][scale=.8]{**6(--(-SO_2-[:30]-[::-60]=_[::60](-[::60])-[::-60])---(-)-)}} } \branch[below=of target_one,target_two,xshift=6em,yshift=-6em]{ \mesomeric{\chemfig[][scale=.8]{-[::30](-[::60])=^[::-60]-[::60](-[::60]S(=[::90]O)(=[::-90]O)-[::0]**6(---(-)---))-[::-60](-[::0])(-[::-120])-[::60](-[::60,.5,,,white]\fminus)-[::-60]CO_2CH_3}} \arrow[below,,.5]{}{} \arrow[below,,.5]{\ch{KOH}}{} \reactant[below]{\chemname{\chemfig{-[::-30](-[::-60])=^[::60]>[::-60](-[::90,1.2])-[::30,1.2](-[::120,1.2](-[::-60])-[::0])<:[::-30]COOH}}{\iupac{\trans\-chrysanthemum acid}} } \merge{target_one}{start_left}{start_center} \merge[\ch{NaOCH3}]{target_two}{target_one}{start_right} \end{rxnscheme} \end{beispiel} \end{document}