Hydrochloric Acid → (+/-)-9-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-2,3,6,7,8,9-hexahydro-1H-5-aza-cyclohepta[f]indene-5-carboxylic acid isopropyl ester
Reaction equation
[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH:8]([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][CH2:17][CH:18]([NH:28][CH2:29][c:30]2[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]2)[c:19]2[cH:20][c:21]3[c:25]([cH:26][c:27]21)[CH2:24][CH2:23][CH2:22]3.[Cl:51][CH2:52][Cl:53].[ClH:50].[cH:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1>>[CH3:1][C:2](=[O:3])[N:28]([CH:18]1[CH2:17][CH2:16][CH2:15][N:14]([C:12]([O:11][CH:8]([CH3:9])[CH3:10])=[O:13])[c:27]2[c:19]1[cH:20][c:21]1[c:25]([cH:26]2)[CH2:24][CH2:23][CH2:22]1)[CH2:29][c:30]1[cH:31][c:32]([C:40]([F:41])([F:42])[F:43])[cH:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-d633a7dbbe8746b4aa788b73fa5ba3e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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