Water → (-)-9-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[[[1-propylimidazol-5-yl]methyl]sulfinyl]phenyl]-2,3,4,5-tetrahydro-1H-1-benzoazonin-6-carboxamide
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:34]2)[CH:20]=[C:21]([C:31](=[O:32])[OH:33])[CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH:28]([CH3:29])[CH3:30])[cH:13][cH:14]1.[CH2:44]([CH2:45][CH3:46])[n:47]1[cH:48][n:49][cH:50][c:51]1[CH2:52][S:53](=[O:54])[c:55]1[cH:56][cH:57][c:58]([NH2:59])[cH:60][cH:61]1.[CH3:68][CH2:69][N:70]([CH2:71][CH3:72])[CH2:73][CH3:74].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:67].[S:40]([Cl:41])([Cl:42])=[O:43]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:34]2)[CH:20]=[C:21]([C:31](=[O:32])[NH:59][c:58]2[cH:57][cH:56][c:55]([S:53]([CH2:52][c:51]4[n:47]([CH2:44][CH2:45][CH3:46])[cH:48][n:49][cH:50]4)=[O:54])[cH:61][cH:60]2)[CH2:22][CH2:23][CH2:24][CH2:25][N:26]3[CH2:27][CH:28]([CH3:29])[CH3:30])[cH:13][cH:14]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cbe14d64c438419d9b3eddd08b920d35
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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