Bromide ion → tert-butyl 2-[4-[[3-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]benzoate

HRID 165820

Reaction equation

HRID 165820 reaction equation
[Br-:54].[Br:33][CH2:34][c:35]1[cH:36][cH:37][c:38](-[c:41]2[c:42]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:43][cH:44][cH:45][cH:46]2)[cH:39][cH:40]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:28])[NH:19][c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:29])[CH3:30].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[H-:31].[Na+:32]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[NH:11][C:12]([CH2:13][C:14](=[O:15])[NH:16][CH:17]1[C:18](=[O:28])[N:19]([CH2:34][c:35]2[cH:36][cH:37][c:38](-[c:41]3[c:42]([C:47](=[O:48])[O:49][C:50]([CH3:51])([CH3:52])[CH3:53])[cH:43][cH:44][cH:45][cH:46]3)[cH:39][cH:40]2)[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]1)([CH3:29])[CH3:30]

Participants

7

Reactant 6

HCID 259Bromide ionHCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 9906257tert-Butyl 4'-(bromomethyl)biphenyl-2-carboxylateHCID 218366093-Benzyloxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]-butanamide

Product 1

HCID 19918729tert-butyl 2-[4-[[3-[[3-methyl-3-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]benzoate

Sources & evidence

ORD record
ord-fbb9a3d82347457787b2d812bec72e15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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