Toluene → 5-[Acetyl-(3,5-bis-trifluoromethyl-benzyl)-amino]-8-chloro-2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl chloride
Reaction equation
[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:5]([N:6]([CH:7]([CH3:8])[CH3:9])[CH2:10][CH3:11])([CH3:12])[CH3:13].[Cl:1][C:2]([Cl:3])=[O:4].[F:14][C:15]([c:16]1[cH:17][c:18]([CH2:19][N:20]([C:21]([CH3:22])=[O:23])[CH:24]2[c:25]3[c:26]([cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[NH:27][CH2:28][CH2:29][CH2:30]2)[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)([F:43])[F:44]>>[Cl:1][C:2](=[O:4])[N:27]1[c:26]2[c:25]([cH:34][cH:33][c:32]([Cl:35])[cH:31]2)[CH:24]([N:20]([CH2:19][c:18]2[cH:17][c:16]([C:15]([F:14])([F:43])[F:44])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]2)[C:21]([CH3:22])=[O:23])[CH2:30][CH2:29][CH2:28]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-ad33d0f8b9b54992bdb0978ca58b1e45
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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