Bromide ion → 1-Methyl-3-bromo-5-(5-methylpyridin-2-yl)pyrazole
Reaction equation
[Br-:25].[CH3:1][n:2]1[n:3][c:4]([Br:24])[cH:5][c:6]1[O:7][S:8]([C:9]([F:10])([F:11])[C:12]([F:13])([F:14])[C:15]([F:16])([F:17])[C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23].[CH3:26][c:27]1[cH:28][cH:29][c:30]([Zn+:33])[n:31][cH:32]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:44].[Pd:45].[c:103]1([P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118][cH:119][cH:120][cH:121]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1.[c:65]1([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[cH:79][cH:80][cH:81][cH:82][cH:83]1.[c:84]1([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[cH:98][cH:99][cH:100][cH:101][cH:102]1>>[CH3:1][n:2]1[n:3][c:4]([Br:24])[cH:5][c:6]1-[c:30]1[cH:29][cH:28][c:27]([CH3:26])[cH:32][n:31]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-3d4abd4a24e743bda8d9c08c45dff339
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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