Water → 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[4-[(isoxazol-5-ylmethyl)sulfanyl]phenyl]-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.[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1.[OH2:61].[S:38]([Cl:39])([Cl:40])=[O:41].[o:42]1[n:43][cH:44][cH:45][c:46]1[CH2:47][S:48][c:49]1[cH:50][cH:51][c:52]([NH2:53])[cH:54][cH:55]1>>[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:53][c:52]2[cH:51][cH:50][c:49]([S:48][CH2:47][c:46]4[o:42][n:43][cH:44][cH:45]4)[cH:55][cH:54]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-d2ea34b29f8141b1a508f8438db6c315
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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