Water → 7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[1-methyl-2-(((1-propylimidazol-5-yl) methyl)sulfinyl)benzimidazol-6-yl]-2,3-dihydro-1H-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:52]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]4[c:36]([n:37]([CH3:50])[c:38]([S:40][CH2:41][c:42]5[cH:43][n:44][cH:45][n:46]5[CH2:47][CH2:48][CH3:49])[n:39]4)[cH:51]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1.[CH3:64][S:65][CH3:66].[Cl:68][CH2:69][Cl:70].[OH2:67].[OH:53][O:54][C:55]([c:56]1[cH:57][c:58]([Cl:59])[cH:60][cH:61][cH:62]1)=[O:63]>>[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:52]2)[CH:20]=[C:21]([C:29](=[O:30])[NH:31][c:32]2[cH:33][cH:34][c:35]4[c:36]([n:37]([CH3:50])[c:38]([S:40]([CH2:41][c:42]5[cH:43][n:44][cH:45][n:46]5[CH2:47][CH2:48][CH3:49])=[O:53])[n:39]4)[cH:51]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH:26]([CH3:27])[CH3:28])[cH:13][cH:14]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-ccd9ef17bfe341adbd29350151e9114a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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