Hydrochloric Acid → Benzyl 4-(dimethylamino)-3-[8-[[2-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]([C:15]([F:16])([F:17])[F:18])[cH:19][cH:20][c:21]1[CH2:22][Br:23].[F:24][c:25]1[c:26]([CH2:27][O:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][OH:37])[cH:38][cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1.[F:46][c:47]1[cH:48][c:49]([C:50]([F:51])([F:52])[F:53])[cH:54][cH:55][c:56]1[CH2:57][O:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH2:64][CH2:65][C:66]([OH:67])=[O:68]>>[F:24][c:25]1[c:26]([CH2:27][O:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[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:38][cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-1da414955a0546f3ad2e732dfb73b527
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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