Sodium ion → phenylmethyl 3-(4-{[4-[5-fluoro-2-(methyloxy)phenyl]-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino}-6-methyl-1H-indazol-1-yl)benzoate
Reaction equation
[Br:22][c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[cH:34][c:35]([C:36](=[O:37])[O:38][CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:46][cH:47][cH:48]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1.[CH3:49][C:50]([CH3:51])([O-:52])[CH3:53].[CH3:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[NH2:1][CH2:2][C:3]([C:4]([F:5])([F:6])[F:7])([CH2:8][C:9]([CH3:10])([CH3:11])[c:12]1[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([F:18])[cH:17]1)[OH:21].[Na+:54].[O:100]=[C:101]([CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1)[CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:62].[Pd:63]>>[NH:1]([CH2:2][C:3]([C:4]([F:5])([F:6])[F:7])([CH2:8][C:9]([CH3:10])([CH3:11])[c:12]1[c:13]([O:19][CH3:20])[cH:14][cH:15][c:16]([F:18])[cH:17]1)[OH:21])[c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[cH:34][c:35]([C:36](=[O:37])[O:38][CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[cH:46][cH:47][cH:48]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-14a85cd5d16f4abd883b12cbcd1cf832
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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