ZINC 12

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Format: Overview Compact Basic Summary Targets List Properties Purchasing Info Catalog Info SDF CAS SMILES MOL2 Flexibase ZINC Names Names+Smiles 800lb Gorilla MOL2 (e.g. PyMol) SDF (e.g. Chimera) SMILES (e.g. Marvin) Gorilla (e.g. Instant JChem) Representations: Default All Single Usual Metals Reference Mid High Low Purchasability: Purchasable In Stock or On Demand In Stock Only Make On Demand Boutique Not For Sale Annotated Model Systems Collabocules Everything Boutique (at any price)

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Parameters Provided:

name.synonym = Crabtree's catalyst   "(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate"         12141720   Warning   H315-H319   P280-P305 P351 P338-P362-P321-P332 P313-P337 P313
filter.purchasability = all
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN synonym AS syn ON (ci.cat_id_fk=syn.cat_fk AND ci.supplier_code=syn.supplier_code) INNER JOIN field AS f ON syn.field_fk=f.field_id  WHERE c.free = 1 AND syn.synonym IS NOT NULL AND syn.synonym LIKE 'Crabtree\'s catalyst   \"(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate\"         12141720   Warning   H315-H319   P280-P305 P351 P338-P362-P321-P332 P313-P337 P313' AND f.ftype IN (3,7,11,12,14) AND ci.sub_id_fk IN (SELECT ci.sub_id_fk AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id  WHERE c.free = 1   )    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?name.synonym=Crabtree%27s+catalyst+++%22%28Tricyclohexyphosphine%29%281%2C5-cyclooctadiene%29%28pyridine%29iridium%28I%29+hexafluorophosphate%22+++++++++12141720+++Warning+++H315-H319+++P280-P305+P351+P338-P362-P321-P332+P313-P337+P313&filter.purchasability=all

Embed Link to Results

<div id="zinc-link"></div> <script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script> <script type="text/javascript"> window.zinc.embed('zinc-link', { "name.synonym": "Crabtree\'s catalyst \"(Tricyclohexyphosphine)(1,5-cyclooctadiene)(pyridine)iridium(I) hexafluorophosphate\" 12141720 Warning H315-H319 P280-P305 P351 P338-P362-P321-P332 P313-P337 P313" }); </script>