Machine-readable reactions

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• Yes, according to the manual: Reads and writes chemically interpreted RXN reactions; all editions. Opens the cited page.ChemDrawReads and writes chemically interpreted RXN reactions; all editions.Source
• Yes, according to the manual: Reaction SMILES and RXN preserve reactants, agents and products. Opens the cited page.PenzeneReaction SMILES and RXN preserve reactants, agents and products.Source
• Yes, according to the manual: Chemistry-aware reactions export RXN, RDF and reaction SMILES. Opens the cited page.Octet DrawChemistry-aware reactions export RXN, RDF and reaction SMILES.Source
• Yes, according to the manual: Reaction SMILES and RXN preserve reactants and products. Opens the cited page.CovalentReaction SMILES and RXN preserve reactants and products.Source
• Yes, according to the manual: RXN export and chemically encoded ELN reactants/products. Opens the cited page.ChemEditRXN export and chemically encoded ELN reactants/products.Source
• Yes, according to the manual. Opens the cited page.Chem IllustratorSource
• Yes, according to the manual: Ketcher reaction editor imports chemical RXN files. Opens the cited page.ChemThisTryKetcher reaction editor imports chemical RXN files.Source
• Yes, according to the manual: Reaction JSON preserves steps; RXN V2000 supports one step. Opens the cited page.Chematic DrawReaction JSON preserves steps; RXN V2000 supports one step.Source
• Partly: CDXML reaction steps require one horizontal arrow and one row. Opens the cited page.Molecule Lab (The Freshman Mole)CDXML reaction steps require one horizontal arrow and one row.Source
• Yes, according to the manual: RXN and reaction SMILES preserve chemical participants. Opens the cited page.vibe-sketcherRXN and reaction SMILES preserve chemical participants.Source
• Yes, according to the manual: CDXML export identifies chemical reactants and products. Opens the cited page.MolCanvasCDXML export identifies chemical reactants and products.Source
• Yes, according to the manual: Ketcher represents reactions and exports RXN. Opens the cited page.KendrawKetcher represents reactions and exports RXN.Source
• Yes, according to the manual: Native Ketcher RXN export preserves reaction chemistry. Opens the cited page.BoltzDrawNative Ketcher RXN export preserves reaction chemistry.Source
• Partly: Reaction drawing generated an RXN preview. Opens the cited page.MolbrettReaction drawing generated an RXN preview.Source
• Partly: Reaction mode wrote RXN; reaction round-trip not checked. Opens the cited page.Sciformation VectorMolReaction mode wrote RXN; reaction round-trip not checked.Source
• Yes, according to the manual: RXN export infers reactants/products from the first forward arrow. Opens the cited page.BondForgeRXN export infers reactants/products from the first forward arrow.Source
• Yes, according to the manual: JSON stores molecular reactants/products assigned to reaction arrows. Opens the cited page.ChemDoodle Web ComponentsJSON stores molecular reactants/products assigned to reaction arrows.Source
• Yes, according to the manual: Ketcher stores reactants, products and reaction participants. Opens the cited page.Chemeditor (Chemrise)Ketcher stores reactants, products and reaction participants.Source
• Yes, according to the manual: Single-step reactions store reactant and product molecules in MRV. Opens the cited page.ChemCanvasSingle-step reactions store reactant and product molecules in MRV.Source
• Yes, according to the manual: RXN export stores reactants and products. Opens the cited page.KetcherRXN export stores reactants and products.Source
• Yes, according to the manual: Reaction SMILES and RXN retain reactants, products and agents. Opens the cited page.AI Chemical Drawing (CubicZnS)Reaction SMILES and RXN retain reactants, products and agents.Source
• Yes, according to the manual: RXN import and export preserve reactants and products. Opens the cited page.OpenReactionsRXN import and export preserve reactants and products.Source
• Yes, according to the manual: Source checkout; chemical graphs, RXN and reaction SMILES. Opens the cited page.Molecule Builder (OvOHongYu)Source checkout; chemical graphs, RXN and reaction SMILES.Source
• Yes, according to the manual: RXN reaction serialization. Opens the cited page.KetchDrawRXN reaction serialization.Source
• Yes, according to the manual: RDKit reactions and reaction SMILES/RXN exchange. Opens the cited page.Schrödinger SketcherRDKit reactions and reaction SMILES/RXN exchange.Source
• Partly: Reaction SMILES imports as molecules and graphics, without retained reaction roles. Opens the cited page.cDrawReaction SMILES imports as molecules and graphics, without retained reaction roles.Source
• Partly: Reaction tool assigned reactants and products while drawing forward arrow. Opens the cited page.JChemPaintReaction tool assigned reactants and products while drawing forward arrow.Source
• Yes, according to the manual: Atom-economy requests store reactant and product SMILES with coefficients. Opens the cited page.SketchScapeAtom-economy requests store reactant and product SMILES with coefficients.Source
• Yes, according to the manual: Native scheme and step data retain reactants and products. Opens the cited page.ChemSemaNative scheme and step data retain reactants and products.Source
• Partly: Copy Mol/Rxn generated RXN with one reactant and no products. Opens the cited page.Dotmatics Elemental / Elemental DrawCopy Mol/Rxn generated RXN with one reactant and no products.Source
• Yes, according to the manual: API extracts chemical reactants and products from drawn reaction documents. Opens the cited page.Kekule.jsAPI extracts chemical reactants and products from drawn reaction documents.Source
• Yes, according to the manual: Native XDC stores molecules with reactant and product roles. Opens the cited page.XDrawChemNative XDC stores molecules with reactant and product roles.Source
• Yes, according to the manual: RXN serialization; reactions containing R-groups are rejected. Opens the cited page.Ketcherails (ketcher-rails)RXN serialization; reactions containing R-groups are rejected.Source
• Yes, according to the manual: Native DataSheet reactions store reactant, reagent, and product molecules. Opens the cited page.WebMolKitNative DataSheet reactions store reactant, reagent, and product molecules.Source
• Yes, according to the manual: Reactants and products serialize as molecular graphs in reaction JSON. Opens the cited page.KemiaReactants and products serialize as molecular graphs in reaction JSON.Source
• Yes, according to the manual: Exports reaction SMILES using the first arrow and molecule positions. Opens the cited page.GlassExports reaction SMILES using the first arrow and molecule positions.Source
• Yes, according to the manual: Native CDML stores reactant and product references to molecular objects. Opens the cited page.BKChem Python 3 ModernizedNative CDML stores reactant and product references to molecular objects.Source
• Yes, according to the manual: RXN and reaction SMILES retain reactants and products. Opens the cited page.ChemDoodle 2DRXN and reaction SMILES retain reactants and products.Source
• Yes, according to the manual: Reaction SMILES imports and exports chemically represented reaction sides. Opens the cited page.LabCanvas Figure Editor / MolDrawReaction SMILES imports and exports chemically represented reaction sides.Source
• Yes, according to the manual: Chemical reaction export supports single-step reactions only. Opens the cited page.Marvin Desktop Suite / MarvinSketchChemical reaction export supports single-step reactions only.Source
• Partly: Recognizes reactant/product relationships; reaction-format storage not documented. Opens the cited page.ChemDraft (元素智研)Recognizes reactant/product relationships; reaction-format storage not documented.Source
• Yes, according to the manual: Single-step reactions retain roles; multistep schemes export as graphics. Opens the cited page.Marvin JSSingle-step reactions retain roles; multistep schemes export as graphics.Source
• Partly: Legacy reactant/product serialization remains; reaction authoring mode is disabled. Opens the cited page.BKChemLegacy reactant/product serialization remains; reaction authoring mode is disabled.Source
• Yes, according to the manual: vendor claim; RXN stores reactants, products, and reagents. Opens the cited page.BIOVIA Drawvendor claim; RXN stores reactants, products, and reagents.Source
• Yes, according to the manual: RXN and RInChI formats preserve chemical reactions. Opens the cited page.ChemWindow (KnowItAll ChemWindow Edition)RXN and RInChI formats preserve chemical reactions.Source
• Yes, according to the manual: Native automapping accepts reaction chemistry and produces mapped RXN. Opens the cited page.Chemistry DrawNative automapping accepts reaction chemistry and produces mapped RXN.Source
• Yes, according to the manual: RXN import and native reaction storage are documented. Opens the cited page.Zoho ChemStudioRXN import and native reaction storage are documented.Source
• Yes, according to the manual: Native XML stores reactants and products as chemical objects. Opens the cited page.GChemPaintNative XML stores reactants and products as chemical objects.Source
• Yes, according to the manual: RXN and RDF read/write; vendor claim. Opens the cited page.ChemPencilRXN and RDF read/write; vendor claim.Source
• Yes, according to the manual: Vendor claim: RXN reaction exchange. Opens the cited page.ACD/ChemSketchVendor claim: RXN reaction exchange.Source
• Yes, according to the manual: CDML reactions reference reactant and product molecular graphs. Opens the cited page.Ferrum Chemical ForgeCDML reactions reference reactant and product molecular graphs.Source
• Yes, according to the manual: RXN is a supported chemical document format. Opens the cited page.Marvin CloudRXN is a supported chemical document format.Source
• Yes, according to the manual: CML stores reactant and product references to molecule structures. Opens the cited page.Chem4WordCML stores reactant and product references to molecule structures.Source
• Yes, according to the manual: Reaction SMILES, RXN, RDF, RInChI, and reaction CML. Opens the cited page.AtomLensReaction SMILES, RXN, RDF, RInChI, and reaction CML.Source
• Yes, according to the manual: RXN import/export stores reactants and products as molecular structures. Opens the cited page.JSDrawRXN import/export stores reactants and products as molecular structures.Source
• Yes, according to the manual: Project stores planner starting materials and target as SMILES. Opens the cited page.ChemCADProject stores planner starting materials and target as SMILES.Source
• Yes, according to the manual: RXN stores explicit reactant and product assignments. Opens the cited page.ChemStitchFreeRXN stores explicit reactant and product assignments.Source
• Yes, according to the manual: Vendor claim: exports reactions as RXN/RD files. Opens the cited page.Chirys DrawVendor claim: exports reactions as RXN/RD files.Source
• Yes, according to the manual: Interpreted reactions can be exported as chemical text. Opens the cited page.ChemScribbleInterpreted reactions can be exported as chemical text.Source

Not available

• No: Chemical reaction documents remain unimplemented. Opens the cited page.ChemifreeChemical reaction documents remain unimplemented.Source
• No: Arrows store coordinates only and are omitted from chemical export. Opens the cited page.RadSketchArrows store coordinates only and are omitted from chemical export.Source
• No: Arrows are scene elements, without reactant/product relationships. Opens the cited page.schematicArrows are scene elements, without reactant/product relationships.Source
• No: Arrows store geometry only; no reactant/product roles. Opens the cited page.BondDrawArrows store geometry only; no reactant/product roles.Source