Water → 7-[4-(2-butoxyethoxy)phenyl]-N-[4-[[(1-ethylimidazol-2-yl)methyl]sulfanyl]phenyl]-1-isobutyl-2,3-dihydro-1-benzazepine-4-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:32]2)[CH:20]=[C:21]([C:29](=[O:30])[OH:31])[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH2:42]([CH3:43])[n:44]1[c:45]([CH2:49][S:50][c:51]2[cH:52][cH:53][c:54]([NH2:55])[cH:56][cH:57]2)[n:46][cH:47][cH:48]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[O:58]1[CH2:59][CH2:60][CH2:61][CH2:62]1.[OH2:63].[S:38]([Cl:39])([Cl:40])=[O:41]>>[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:32]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:55][c:54]2[cH:53][cH:52][c:51]([S:50][CH2:49][c:45]4[n:44]([CH2:42][CH3:43])[cH:48][cH:47][n:46]4)[cH:57][cH:56]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-d03e16d342564ffab7668026bfea21d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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