Bromide ion → (+/-)-1-tert-butylcarbonylmethyl-2-oxo-3-tert-butoxycarbonylamino-5-cyclohexyl-1,3,4,5-tetrahy dro-2H-1,5-benzodiazepine
Reaction equation
[Br-:47].[C:27]([CH3:28])([CH3:29])([CH3:30])[C:31](=[O:32])[CH2:33][Br:34].[C:35](=[O:36])([O-:37])[O-:38].[CH2:48]([N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH3:64].[CH3:43][S:44](=[O:45])[CH3:46].[I-:42].[K+:39].[K+:40].[K+:41].[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.[OH2:65]>>[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:31]([C:27]([CH3:28])([CH3:29])[CH3:30])=[O:32]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-aa5eba3bcc0545d6abfd7cf41ab5ae32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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