Hydrochloric Acid → cis-4-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepane-1-carbonyl)-cyclohexanecarboxylic acid benzyl ester
Reaction equation
[CH2:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[O:40][C:41](=[O:42])[CH:43]1[CH2:44][CH2:45][CH:46]([C:49](=[O:50])[OH:51])[CH2:47][CH2:48]1.[CH2:52]([N:53]([CH2:54][CH3:55])[CH2:56][CH3:57])[CH3:58].[ClH:1].[N:2]1([c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[o:21][c:22]3[C:23]([F:24])([F:25])[F:26])[cH:13][cH:14]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7][CH2:8]1.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[N:2]1([c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[o:21][c:22]3[C:23]([F:24])([F:25])[F:26])[cH:13][cH:14]2)[CH2:3][CH2:4][N:5]([C:49]([CH:46]2[CH2:45][CH2:44][CH:43]([C:41]([O:40][CH2:33][c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)=[O:42])[CH2:48][CH2:47]2)=[O:50])[CH2:6][CH2:7][CH2:8]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-f08db1a2e4424449ac754666ec39e110
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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