Bromide ion → 1-(2-toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-(2-cyclohexen-1-yl)-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine
Reaction equation
[Br-:48].[Br:28][CH2:29][C:30](=[O:31])[c:32]1[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]1.[CH2:49]([N+:50]([CH2:51][CH2:52][CH2:53][CH3:54])([CH2:55][CH2:56][CH2:57][CH3:58])[CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH3:65].[CH3:41][c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[Na+:40].[O:1]=[C:2]1[CH:3]([NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:4][N:5]([CH:14]2[CH:15]=[CH:16][CH2:17][CH2:18][CH2:19]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[OH-:39]>>[O:1]=[C:2]1[CH:3]([NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH2:4][N:5]([CH:14]2[CH:15]=[CH:16][CH2:17][CH2:18][CH2:19]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[N:8]1[CH2:29][C:30](=[O:31])[c:32]1[c:33]([CH3:38])[cH:34][cH:35][cH:36][cH:37]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-154c2d68a60543b6a6f7e20cbd2ed7bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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