Hydrochloric Acid → 3-acetyl-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-(1,1-dioxothiazinan-2-yl)benzamide
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:7]([CH2:8][c:9]1[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]1)[CH2:17][CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([c:31]1[cH:32][c:33]([C:45]([CH3:46])=[O:47])[cH:34][c:35]([N:37]2[S:38](=[O:43])(=[O:44])[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:36]1)=[O:48])[OH:49])([CH3:5])([CH3:6])[CH3:50].[ClH:51]>>[NH:7]([CH2:8][c:9]1[cH:10][c:11]([O:15][CH3:16])[cH:12][cH:13][cH:14]1)[CH2:17][CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([c:31]1[cH:32][c:33]([C:45]([CH3:46])=[O:47])[cH:34][c:35]([N:37]2[S:38](=[O:43])(=[O:44])[CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:36]1)=[O:48])[OH:49]Participants
3
Sources & evidence
- ORD record
- ord-522cbaf2f71b4b189c9cdfae32a663a2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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