Hydrochloric Acid → 3(RS)-(tert-butoxyformamido)-5,5,5-trifluoro-2(RS)-hydroxy-2',4' dimethylvaleranilide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:12])[OH:13])[OH:14])[CH2:15][C:16]([F:17])([F:18])[F:19].[CH3:20][c:21]1[cH:22][cH:23][c:24]([NH2:25])[c:26]([CH3:27])[cH:28]1.[CH3:30][N:31]([CH3:32])[CH2:33][CH2:34][CH2:35][N:36]=[C:37]=[N:38][CH2:39][CH3:40].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[Cl:51][CH2:52][Cl:53].[ClH:29].[OH:41][n:42]1[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH:10]([C:11](=[O:13])[NH:25][c:24]1[cH:23][cH:22][c:21]([CH3:20])[cH:28][c:26]1[CH3:27])[OH:14])[CH2:15][C:16]([F:17])([F:18])[F:19]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-fe245cb0a1094eab86210943cce447c0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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