Sodium ion → 1,1,1-Trifluoro-4-[5-fluoro-2-(methyloxy)phenyl]-2-({[1-(2-fluorophenyl)-6-methyl-1H-indazol-4-yl]amino}methyl)-4-methyl-2-pentanol
Reaction equation
[Br:22][c:23]1[c:24]2[cH:25][n:26][n:27](-[c:33]3[c:34]([F:39])[cH:35][cH:36][cH:37][cH:38]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1.[CH3:40][C:41]([CH3:42])([O-:43])[CH3:44].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]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+:45].[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:53].[Pd:54]>>[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[c:34]([F:39])[cH:35][cH:36][cH:37][cH:38]3)[c:28]2[cH:29][c:30]([CH3:32])[cH:31]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-d572bc55576a4508b2142e177f3a4e69
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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