Bromide ion → 1-(N-tert-butyl)carbamoylmethyl-2-oxo-3-tert-butoxycarbonylamino-5-cyclohexyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Reaction equation
[Br-:46].[C:27]([CH3:28])([CH3:29])([CH3:30])[NH:31][C:32]([CH2:33][Br:34])=[O:35].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Na+:37].[O:1]=[C:2]1[CH:3]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:4][N:5]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[NH:8]1.[OH-:36].[OH2:38]>>[O:1]=[C:2]1[CH:3]([NH:19][C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:4][N:5]([CH:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]2)[c:6]2[c:7]([cH:9][cH:10][cH:11][cH:12]2)[N:8]1[CH2:33][C:32]([NH:31][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:35]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-df555b5595f84397848b14e8ab1cb6a8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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