31:
69:
The twelve top-level reaction categories proposed by Carey, Laffan, Thompson and
Williams are given in the table below, together with their RXNO ontology identifiers and the equivalent Knowledge categories where applicable.
547:
Schneider, Nadine; Lowe, Daniel; Sayle, Roger; Landrum, Gregory (Jan 2015). "Development of a Novel
Fingerprint for Chemical Reactions and its Application to Large-Scale Reaction Classification and Similarity".
511:
Schneider, Nadine; Lowe, Daniel; Sayle, Roger; Tarselli, Michael; Landrum, Gregory (2016). "Big Data from
Pharmaceutical Patents: A Computational Analysis of Medicinal Chemists' Bread and Butter".
625:
Roughley, Stephen D.; Jordan, Allan M. (May 2011). "The
Medicinal Chemist's Toolbox: An analysis of reactions used in the pursuit of drug candidates".
98:
588:
Carey, JS; Laffan, D; Thomson, C; Williams, MT (May 2006). "Analysis of the reactions used for the preparation of drug candidate molecules".
126:
550:
341:
685:
142:
198:
183:
590:
54:
461:
214:
627:
42:
323:
467:
449:
383:
253:
50:
57:. The RXNO ontology unifies several previous attempts to systematize chemical reactions including the
491:
353:
281:
311:
419:
425:
401:
365:
335:
17:
8:
473:
455:
317:
299:
644:
607:
567:
529:
479:
395:
287:
636:
599:
559:
521:
413:
377:
371:
525:
443:
437:
407:
389:
347:
329:
293:
275:
359:
679:
513:
305:
267:
46:
648:
611:
571:
533:
431:
665:
58:
670:
640:
563:
603:
587:
266:
The following table lists the RXNO identifiers for some example
510:
61:
and the hierarchy of Carey, Laffan, Thomson and
Williams.
30:
546:
99:Category:Carbon-heteroatom bond forming reactions
677:
624:
127:Category:Carbon-carbon bond forming reactions
551:Journal of Chemical Information and Modeling
64:
27:Formal ontology of chemical named reactions
583:
581:
29:
14:
678:
578:
208:Functional group interconversion (FGI)
143:Category:Heterocycle forming reactions
49:. It was originally developed at the
591:Organic & Biomolecular Chemistry
199:Category:Organic oxidation reactions
184:Category:Organic reduction reactions
93:Heteroatom alkylation and arylation
24:
55:Open Biomedical Ontologies Foundry
25:
697:
659:
261:
53:(RSC) and is associated with the
342:Horner–Wadsworth–Emmons reaction
224:Functional group addition (FGA)
215:Category:Substitution reactions
108:Acylation and related processes
686:Ontology (information science)
628:Journal of Medicinal Chemistry
618:
540:
504:
13:
1:
497:
136:Heterocycle forming reactions
526:10.1021/acs.jmedchem.6b00153
462:Rosenmund–von Braun reaction
120:Carbon-Carbon bond formation
7:
485:
10:
702:
384:Williamson ether synthesis
254:Category:Organic reactions
51:Royal Society of Chemistry
492:List of organic reactions
324:Baeyer–Villiger oxidation
65:Major Reaction Categories
354:Fischer indole synthesis
468:Friedel–Crafts reaction
450:Fleming–Tamao oxidation
312:Beckmann rearrangement
165:Deprotection reactions
34:
420:Claisen rearrangement
33:
666:RXNO trunk on github
426:Lossen rearrangement
402:Hunsdiecker reaction
366:Ullmann condensation
336:Claisen condensation
282:Diels–Alder reaction
236:Resolution reactions
152:Protection reactions
474:Fries rearrangement
456:Cannizzaro reaction
85:Knowledge Category
318:Cope rearrangement
300:Sandmeyer reaction
35:
641:10.1021/jm200187y
598:(12): 2337–2347.
564:10.1021/ci5006614
480:Collins oxidation
396:Gabriel synthesis
288:Grignard reaction
259:
258:
79:Reaction Category
16:(Redirected from
693:
653:
652:
622:
616:
615:
604:10.1039/B602413K
585:
576:
575:
544:
538:
537:
520:(9): 4385–4402.
508:
414:Emde degradation
378:Negishi coupling
372:Barbier reaction
73:
72:
21:
701:
700:
696:
695:
694:
692:
691:
690:
676:
675:
671:RXNO at the RSC
662:
657:
656:
635:(10): 3451–79.
623:
619:
586:
579:
545:
541:
509:
505:
500:
488:
444:Hiyama coupling
438:Perkow reaction
408:Suzuki reaction
390:Glaser coupling
348:Skraup reaction
330:Birch reduction
294:Wittig reaction
276:Perkin reaction
264:
67:
47:named reactions
28:
23:
22:
15:
12:
11:
5:
699:
689:
688:
674:
673:
668:
661:
660:External links
658:
655:
654:
617:
577:
539:
502:
501:
499:
496:
495:
494:
487:
484:
483:
482:
476:
470:
464:
458:
452:
446:
440:
434:
428:
422:
416:
410:
404:
398:
392:
386:
380:
374:
368:
362:
360:Wurtz reaction
356:
350:
344:
338:
332:
326:
320:
314:
308:
302:
296:
290:
284:
278:
268:name reactions
263:
262:Name Reactions
260:
257:
256:
251:
249:
246:
242:
241:
239:
237:
234:
230:
229:
227:
225:
222:
218:
217:
212:
209:
206:
202:
201:
196:
194:
191:
187:
186:
181:
179:
176:
172:
171:
169:
166:
163:
159:
158:
156:
153:
150:
146:
145:
140:
137:
134:
130:
129:
124:
121:
118:
114:
113:
111:
109:
106:
102:
101:
96:
94:
91:
87:
86:
83:
80:
77:
66:
63:
26:
9:
6:
4:
3:
2:
698:
687:
684:
683:
681:
672:
669:
667:
664:
663:
650:
646:
642:
638:
634:
630:
629:
621:
613:
609:
605:
601:
597:
593:
592:
584:
582:
573:
569:
565:
561:
557:
553:
552:
543:
535:
531:
527:
523:
519:
516:
515:
514:J. Med. Chem.
507:
503:
493:
490:
489:
481:
478:RXNO:0000550
477:
475:
472:RXNO:0000444
471:
469:
466:RXNO:0000369
465:
463:
460:RXNO:0000288
459:
457:
454:RXNO:0000218
453:
451:
448:RXNO:0000210
447:
445:
442:RXNO:0000193
441:
439:
436:RXNO:0000183
435:
433:
430:RXNO:0000157
429:
427:
424:RXNO:0000156
423:
421:
418:RXNO:0000148
417:
415:
412:RXNO:0000147
411:
409:
406:RXNO:0000140
405:
403:
400:RXNO:0000106
399:
397:
394:RXNO:0000103
393:
391:
388:RXNO:0000098
387:
385:
382:RXNO:0000090
381:
379:
376:RXNO:0000088
375:
373:
370:RXNO:0000084
369:
367:
364:RXNO:0000081
363:
361:
358:RXNO:0000074
357:
355:
352:RXNO:0000064
351:
349:
346:RXNO:0000062
345:
343:
340:RXNO:0000056
339:
337:
334:RXNO:0000043
333:
331:
328:RXNO:0000042
327:
325:
322:RXNO:0000031
321:
319:
316:RXNO:0000028
315:
313:
310:RXNO:0000026
309:
307:
306:Heck reaction
304:RXNO:0000024
303:
301:
298:RXNO:0000021
297:
295:
292:RXNO:0000015
291:
289:
286:RXNO:0000014
285:
283:
280:RNXO:0000006
279:
277:
274:RXNO:0000003
273:
272:
271:
269:
255:
252:
250:
248:Miscellaneous
247:
244:
243:
240:
238:
235:
232:
231:
228:
226:
223:
220:
219:
216:
213:
210:
207:
204:
203:
200:
197:
195:
192:
189:
188:
185:
182:
180:
177:
174:
173:
170:
167:
164:
161:
160:
157:
154:
151:
148:
147:
144:
141:
138:
135:
132:
131:
128:
125:
122:
119:
116:
115:
112:
110:
107:
104:
103:
100:
97:
95:
92:
89:
88:
84:
81:
78:
75:
74:
71:
62:
60:
56:
52:
48:
44:
40:
39:RXNO Ontology
32:
19:
632:
626:
620:
595:
589:
558:(1): 39–53.
555:
549:
542:
517:
512:
506:
432:Nef reaction
265:
211:RXNO:0000011
168:RXNO:0000203
155:RXNO:0000078
139:RXNO:0000349
123:RXNO:0000002
68:
45:of chemical
41:is a formal
38:
36:
59:Merck Index
498:References
193:Oxidations
178:Reductions
680:Category
649:21504168
612:16763676
572:25541888
534:27028220
486:See also
43:ontology
82:RXNO ID
647:
610:
570:
532:
76:Index
645:PMID
608:PMID
568:PMID
530:PMID
37:The
18:RXNO
637:doi
600:doi
560:doi
522:doi
682::
643:.
633:54
631:.
606:.
594:.
580:^
566:.
556:55
554:.
528:.
518:59
270:.
245:12
233:11
221:10
651:.
639::
614:.
602::
596:4
574:.
562::
536:.
524::
205:9
190:8
175:7
162:6
149:5
133:4
117:3
105:2
90:1
20:)
Text is available under the Creative Commons Attribution-ShareAlike License. Additional terms may apply.
