Online-only Table 1.
Reactants found and reactant pairs generated for each transform.
| ID | Name | R1 | R2 | Pairs |
|---|---|---|---|---|
| 1031 | Paal-Knorr Pyrrole Synthesis | 38,317 | 4 | 153,268 |
| 1039 | Feist Synthesis of Pyrroles | 167 | 55 | 9,185 |
| 1171 | Hantzsch Thiazole Synthesis | 505 | 920 | 464,600 |
| 1391 | Allene 2 + 2 Cycloaddition | 17 | 7,792 | 132,464 |
| 1439 | Pyrazoles from Beta Carbonyl Carboxylic Acid Derivatives | 33 | 1,691 | 55,803 |
| 2201 | Fused Arylpyridines via o-Aminocarbonyls | 17,257 | 218 | 3,762,026 |
| 2218 | Tetrazoles from Azide and Nitriles | 7,089 | 1 | 7,089 |
| 2230 | Phthalazin-1-ones from 2-Acylbenzoic Acids | 55 | 1,690 | 92,950 |
| 2238 | Fused Aryl(2,3-H/R)Pyridines (Pictet-Spengler) | 1,309 | 14,095 | 18,450,355 |
| 2267 | Sonogashira Coupling | 1,200 | 22,839 | 27,406,800 |
| 2269 | Kabbe Synthesis of 4-Chromanones | 5,750 | 35 | 201,250 |
| 2630 | Benzazepin-2-ones by Pictet-Spengler Reaction | 14 | 5,092 | 71,288 |
| 2684 | Benzo[b]furans from 2-Hydroxyphenyl Acetylenes | 12 | 314 | 3,768 |
| 2875 | Copper[I]-catalyzed azide-alkyne cycloaddition | 960 | 1,646 | 1,580,160 |
| 6003 | Buchwald-Hartwig Ether Formation | 14,834 | 6,519 | 96,702,846 |
| 6004 | Suzuki-Miyaura Cross-Coupling (Bromo) | 10,857 | 543 | 5,895,351 |
| 6005 | Suzuki-Miyaura Cross-Coupling (Iodo) | 1,490 | 543 | 809,070 |
| 6006 | Suzuki-Miyaura Cross-Coupling (Chloro) | 13,115 | 534 | 7,003,410 |
| 6008 | Suzuki-Miyaura Cross-Coupling with Alkene | 543 | 91 | 49,413 |
| 6009 | Suzuki-Miyaura Cross-Coupling of Alkenes | 88 | 5,150 | 453,200 |
| 6013 | Hiyama Aryl-Alkenyl Cross-Coupling | 1,491 | 2 | 2,982 |
| 6014 | Hiyama Non-Aromatic Cross-Coupling | 76 | 151 | 11,476 |
| 6015 | Hiyama Allyl Cross-Coupling | 2 | 80 | 160 |
| 6016 | Hiyama Carbonylative Cross-Coupling | 12,039 | 2 | 24,078 |
| 6017 | Hiyama Cross-Coupling with Arylhydrazine | 553 | 2 | 1,106 |
| 6022 | Liebeskind-Srogl Thioamide Coupling | 164 | 543 | 89,052 |
| 6024 | Liebeskind-Srogl Nitrile Formation | 1 | 583 | 583 |
| 6025 | Liebeskind-Srogl Heterocyclic Coupling | 330 | 539 | 177,870 |
| 6026 | Sulfonamide Schotten-Baumann | 1,981 | 62,784 | 124,375,104 |
| 6027 | Sulfonamide Schotten-Baumann from Sulfonate | 62,994 | 108 | 6,803,352 |
| 6028 | Sulfonamide Schotten-Baumann from Thiol | 62,491 | 2,313 | 144,541,683 |
| 6029 | Sulfonamide Schotten-Baumann from Aryl Bromide | 59,213 | 7,159 | 423,905,867 |
| 6031 | Mitsunobu Reaction | 28,743 | 5,860 | 168,433,980 |
| 6032 | Mitsunobu carbon-carbon bond formation | 11,858 | 18 | 213,444 |
| 6033 | Mitsunobu SN2’ Reaction | 29,672 | 3 | 89,016 |
| 6034 | Mitsunobu Imide Reaction | 6,073 | 6,146 | 37,324,658 |
| 6035 | Mitsunobu Aryl Ether Formation | 11,848 | 4,631 | 54,868,088 |
| 6036 | Mitsunobu Sulfonamide Reaction | 10,317 | 2,130 | 21,975,210 |
| 6038 | Ester or Amide or Thiolester Formation | 38,104 | 21,136 | 805,366,144 |
| 6039 | Williamson Ether Synthesis | 14,159 | 24,371 | 345,068,989 |
| 6041 | Buchwald-Hartwig Reaction - Amines | 17,755 | 36,712 | 651,821,560 |
| 6043 | Buchwald-Hartwig Reaction - Sulfonamides | 10,619 | 3,516 | 37,336,404 |
| 7005 | Benzimidazoles from o-Phenylenediamines | 190 | 29,659 | 5,635,210 |
| 7009 | Acylsulfonamide from Sulfonamide and Carboxylic Acid | 1,690 | 29,508 | 49,868,520 |
| 7013 | Benzimidazoles from o-Phenylenediamines and Aldehydes - Iodine | 346 | 5,092 | 1,761,832 |
| 7014 | Benzimidazoles from o-Phenylenediamines and Aldehydes - Boronic Acid | 142 | 5,092 | 723,064 |
| 7015 | Sulfonamide from sulfonic acid and amine | 62,983 | 108 | 6,802,164 |
| 7017 | Sulfonamide alkylation with a cyclic ether | 1,475 | 7,500 | 11,062,500 |
| 7018 | Sulfonamide acylation | 3,930 | 314 | 1,234,020 |
| 7019 | Wittig Reaction | 8,435 | 58,616 | 494,425,960 |
| 7020 | Wittig via Methoxy-Ylide | 12 | 14,175 | 170,100 |
| 7021 | Horner-Wadsworth-Emmons Olefination | 5,070 | 7 | 35,490 |
| 7022 | Chan-Lam coupling | 521 | 58,891 | 30,682,211 |
| 3,588,136,173 |