Hydrochloric Acid → Benzyl 4-(dimethylamino)-3-[8-[[3-fluoro-4-(trifluoromethyl)phenyl]methoxy]octanoylamino]butanoate
Reaction equation
[CH2:1]([OH:2])[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][OH:10].[CH2:71]([c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[O:78][C:79]([CH2:80][CH:81]([CH2:82][N:83]([CH3:84])[CH3:85])[NH2:86])=[O:87].[ClH:69].[ClH:70].[F:11][c:12]1[cH:13][c:14]([CH2:22][Br:23])[cH:15][cH:16][c:17]1[C:18]([F:19])([F:20])[F:21].[F:24][c:25]1[cH:26][c:27]([CH2:28][O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][OH:38])[cH:39][cH:40][c:41]1[C:42]([F:43])([F:44])[F:45].[F:46][c:47]1[cH:48][c:49]([CH2:57][O:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][C:66]([OH:67])=[O:68])[cH:50][cH:51][c:52]1[C:53]([F:54])([F:55])[F:56]>>[F:24][c:25]1[cH:26][c:27]([CH2:28][O:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][C:37](=[O:38])[NH:86][CH:81]([CH2:80][C:79]([O:78][CH2:71][c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)=[O:87])[CH2:82][N:83]([CH3:84])[CH3:85])[cH:39][cH:40][c:41]1[C:42]([F:43])([F:44])[F:45]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-512f0335ff884277a79f9f79da2f9e0e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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