Potassium Cation → 6-(4-Hydroxy-2-methyl-phenyl)-benzo[d]isoxazole-3-carboxylic acid ethyl ester
Reaction equation
[CH2:18]([CH3:19])[O:20][C:21](=[O:22])[c:23]1[n:24][o:25][c:26]2[c:27]1[cH:28][cH:29][c:30]([Br:32])[cH:31]2.[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1[B:8]1[O:9][C:10]([CH3:11])([CH3:12])[C:13]([CH3:14])([CH3:15])[O:16]1.[CH:35]1([P:36]([CH:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[K+:59].[K+:60].[K+:61].[N:33]#[N:34].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:70]=[C:71]([CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1)[CH:80]=[CH:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[P:54]([O-:55])([O-:56])([O-:57])=[O:58].[Pd:68].[Pd:69]>>[CH3:1][c:2]1[cH:3][c:4]([OH:17])[cH:5][cH:6][c:7]1-[c:30]1[cH:29][cH:28][c:27]2[c:23]([C:21]([O:20][CH2:18][CH3:19])=[O:22])[n:24][o:25][c:26]2[cH:31]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-a06f9a18ce774914be68765d12261eb0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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