Water → 8-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-N-[3-methyl-4-[[[1-propylimidazol-5-yl]methyl]sulfanyl]phenyl]-1,2,3,4-tetrahydro-1-benzoazocine-5-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:33]2)[CH:20]=[C:21]([C:30](=[O:31])[OH:32])[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:13][cH:14]1.[CH3:43][c:44]1[cH:45][c:46]([NH2:47])[cH:48][cH:49][c:50]1[S:51][CH2:52][c:53]1[cH:54][n:55][cH:56][n:57]1[CH2:58][CH2:59][CH3:60].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:72].[S:39]([Cl:40])([Cl:41])=[O:42].[cH:66]1[cH:67][cH:68][n:69][cH:70][cH:71]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:33]2)[CH:20]=[C:21]([C:30](=[O:31])[NH:47][c:46]2[cH:45][c:44]([CH3:43])[c:50]([S:51][CH2:52][c:53]4[cH:54][n:55][cH:56][n:57]4[CH2:58][CH2:59][CH3:60])[cH:49][cH:48]2)[CH2:22][CH2:23][CH2:24][N:25]3[CH2:26][CH:27]([CH3:28])[CH3:29])[cH:13][cH:14]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-223ea4b74aa94a64940d0444c0c5f6fb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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