Bromide ion → Tert-butyl 3-[[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoate
Reaction equation
[Br-:52].[C:11](=[O:12])([O-:13])[O-:14].[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][Br:8].[CH2:53]([N+:54]([CH2:55][CH2:56][CH2:57][CH3:58])([CH2:59][CH2:60][CH2:61][CH3:62])[CH2:63][CH2:64][CH2:65][CH3:66])[CH2:67][CH2:68][CH3:69].[CH3:70][S:71]([CH3:72])=[O:73].[I-:10].[K+:15].[K+:16].[K+:9].[O:17]=[C:18]1[CH:19]([NH:35][C:36](=[O:37])[NH:38][c:39]2[cH:40][c:41]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:42][cH:43][cH:44]2)[CH2:20][N:21]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:22]2[c:23]([cH:25][cH:26][cH:27][cH:28]2)[NH:24]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5](=[O:6])[CH2:7][N:24]1[C:18](=[O:17])[CH:19]([NH:35][C:36](=[O:37])[NH:38][c:39]2[cH:40][c:41]([C:45](=[O:46])[O:47][C:48]([CH3:49])([CH3:50])[CH3:51])[cH:42][cH:43][cH:44]2)[CH2:20][N:21]([CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[c:22]2[c:23]1[cH:25][cH:26][cH:27][cH:28]2Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-c29f710a569941d6a08a4e827d44a684
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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