Sodium ion → 3-(4-Amino-2-chloro-phenyl)-2-(2-chloro-pyridin-4-yl)-1,1,1-trifluoro-butan-2-ol
Reaction equation
[CH3:1][N:2]1[C:3](=[O:4])[CH2:5][C:6](=[O:7])[N:8]([CH3:9])[C:10]1=[O:11].[Cl:12][c:13]1[c:14]([CH:26]([C:27]([C:28]([F:29])([F:30])[F:31])([OH:32])[c:33]2[cH:34][c:35]([Cl:39])[n:36][cH:37][cH:38]2)[CH3:40])[cH:15][cH:16][c:17]([N:19]([CH2:20][CH:21]=[CH2:22])[CH2:23][CH:24]=[CH2:25])[cH:18]1.[Cl:43][CH2:44][Cl:45].[Na+:42].[OH-:41].[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>>[Cl:12][c:13]1[c:14]([CH:26]([C:27]([C:28]([F:29])([F:30])[F:31])([OH:32])[c:33]2[cH:34][c:35]([Cl:39])[n:36][cH:37][cH:38]2)[CH3:40])[cH:15][cH:16][c:17]([NH2:19])[cH:18]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-dbd8411a584d47a19237a882372f975e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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