Bromide ion → N-tert-Butyl-2-{3-[tert.-butoxycarbonylamino]-8-methyl-2-oxo-5-phenyl-1,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
Reaction equation
[Br-:39].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH:11]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:12]2[c:13]([cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[NH:14][C:15]1=[O:16].[CH3:40][CH2:41][CH2:42][CH2:43][N+:44]([CH2:45][CH2:46][CH2:47][CH3:48])([CH2:49][CH2:50][CH2:51][CH3:52])[CH2:53][CH2:54][CH2:55][CH3:56].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[I:28][CH2:29][C:30](=[O:31])[NH:32][C:33]([CH3:34])([CH3:35])[CH3:36].[K+:38].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[OH-:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH:11]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:12]2[c:13]([cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[N:14]([CH2:29][C:30](=[O:31])[NH:32][C:33]([CH3:34])([CH3:35])[CH3:36])[C:15]1=[O:16]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-294fe9305f884c1793b893f9a9794a33
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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