Carbonate Ion → 4-(3,3-Difluoro-4-hydroxy-5-methyl-2-oxopyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
Reaction equation
[C:66](=[O:67])([O-:68])[O-:69].[Cs+:70].[Cs+:71].[F:14][C:15]1([F:23])[C:16](=[O:22])[NH:17][CH:18]([CH3:21])[CH:19]1[OH:20].[F:1][C:2]([c:3]1[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]([I:11])[cH:10]1)([F:12])[F:13].[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:72].[Pd:73].[c:24]1([P:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:32]2[c:33]3[c:57]([cH:58][cH:59][cH:60]2)[C:54]([CH3:55])([CH3:56])[c:36]2[c:35]([c:40]([P:41]([c:42]4[cH:43][cH:44][cH:45][cH:46][cH:47]4)[c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)[cH:39][cH:38][cH:37]2)[O:34]3)[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[F:1][C:2]([c:3]1[c:4]([C:5]#[N:6])[cH:7][cH:8][c:9]([N:17]2[C:16](=[O:22])[C:15]([F:14])([F:23])[CH:19]([OH:20])[CH:18]2[CH3:21])[cH:10]1)([F:12])[F:13]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-f1af6c58b23c4442845415ea2028b1f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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