Sodium ion → N-(Cyclopropylmethyl)-4-methyl-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide
Reaction equation
[Br:30][c:31]1[cH:32][c:33]2[c:34]([c:35]([CH:38]3[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]3)[n:36][o:37]2)[cH:44][cH:45]1.[CH3:123][O:124][CH2:125][CH2:126][O:127][CH3:128].[CH:1]1([CH2:4][NH:5][C:6]([c:7]2[cH:8][c:9]([B:14]3[O:15][C:16]([CH3:17])([CH3:18])[C:19]([CH3:20])([CH3:21])[O:22]3)[c:10]([CH3:13])[cH:11][cH:12]2)=[O:23])[CH2:2][CH2:3]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[Pd:46].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[CH:1]1([CH2:4][NH:5][C:6]([c:7]2[cH:8][c:9](-[c:31]3[cH:32][c:33]4[c:34]([c:35]([CH:38]5[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]5)[n:36][o:37]4)[cH:44][cH:45]3)[c:10]([CH3:13])[cH:11][cH:12]2)=[O:23])[CH2:2][CH2:3]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-5d02a6cb34e94eb9ace8705842358aca
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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