Hydrochloric Acid → N-((1RS,2SR)-2-(4-fluorophenyl)-2-hydroxy-1-{3-[(trifluoromethyl)thio]benzyl}ethyl)-6,7-dihydro-5H-benzo[a][7]annulene-1-carboxamide
Reaction equation
[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:61][C:62]#[N:63].[ClH:38].[NH2:1][CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([S:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18]1.[OH2:50].[OH2:64].[OH:51][n:52]1[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1.[c:24]1([C:35](=[O:36])[OH:37])[cH:25][cH:26][cH:27][c:28]2[c:29]1[CH:30]=[CH:31][CH2:32][CH2:33][CH2:34]2>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][cH:7][c:8]([F:11])[cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][c:15]([S:19][C:20]([F:21])([F:22])[F:23])[cH:16][cH:17][cH:18]1)[C:35]([c:24]1[cH:25][cH:26][cH:27][c:28]2[c:29]1[CH:30]=[CH:31][CH2:32][CH2:33][CH2:34]2)=[O:36]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-460216f1ac9049ffa8bb937e154085eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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