Sodium ion → 1,1-Dimethylethyl 4-(6-{5-[(cyclopropylamino)carbonyl]-2-methylphenyl}-1,2-benzisoxazol-3-yl)-1-piperazinecarboxylate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([c:6]([N:9]3[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:22][cH:23]1.[CH:24]1([NH:27][C:28]([c:29]2[cH:30][c:31]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[c:32]([CH3:35])[cH:33][cH:34]2)=[O:45])[CH2:25][CH2:26]1.[CH:52]([OH:53])([CH3:54])[CH3:55].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:31]2[cH:30][c:29]([C:28]([NH:27][CH:24]3[CH2:25][CH2:26]3)=[O:45])[cH:34][cH:33][c:32]2[CH3:35])[cH:3][c:4]2[c:5]([c:6]([N:9]3[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]3)[n:7][o:8]2)[cH:22][cH:23]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-094a1d1ab8ab40a18da4a0db8392f169
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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