Acetone → (+/-)-isopropyl 5-[(3,5-bistrifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)-amino]-8-chloro-2,3,4,5-tetrahydrobenzo[b]azepine-1-carboxylate
Reaction equation
[CH3:49][C:50]([CH3:51])=[O:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:7][I:8].[Cl:58][CH2:59][Cl:60].[F:9][C:10]([c:11]1[cH:12][c:13]([CH2:14][N:15]([CH:16]2[c:17]3[c:18]([cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[N:19]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])[CH2:20][CH2:21][CH2:22]2)[c:34]2[n:35][n:36][n:37][nH:38]2)[cH:39][c:40]([C:42]([F:43])([F:44])[F:45])[cH:41]1)([F:46])[F:47].[Na+:1].[Na+:2].[O-:3][C:4](=[O:5])[O-:6].[OH2:48]>>[CH3:4][n:37]1[n:36][n:35][c:34]([N:15]([CH2:14][c:13]2[cH:12][c:11]([C:10]([F:9])([F:46])[F:47])[cH:41][c:40]([C:42]([F:43])([F:44])[F:45])[cH:39]2)[CH:16]2[c:17]3[c:18]([cH:29][c:30]([Cl:33])[cH:31][cH:32]3)[N:19]([C:23](=[O:24])[O:25][CH:26]([CH3:27])[CH3:28])[CH2:20][CH2:21][CH2:22]2)[n:38]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c31b7e39a28b46f3a254746aff0ae530
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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