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Sodium Ion → tert-butyl N-[4-[[1-[[4-[2-(methoxycarbonylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxobutan-2-yl]carbamate

HRID 197910
Notes
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Reaction equation

HRID 197910 reaction equation
[Br:30][CH2:31][c:32]1[cH:33][cH:34][c:35](-[c:38]2[c:39]([NH:44][C:45](=[O:46])[O:47][CH3:48])[cH:40][cH:41][cH:42][cH:43]2)[cH:36][cH:37]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][C:11](=[O:12])[NH:13][CH:14]1[C:15](=[O:25])[NH:16][c:17]2[c:18]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19][CH2:20]1)([CH3:26])[CH3:27].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[H-:28].[Na+:29].[OH2:49]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][C:11](=[O:12])[NH:13][CH:14]1[C:15](=[O:25])[N:16]([CH2:31][c:32]2[cH:33][cH:34][c:35](-[c:38]3[c:39]([NH:44][C:45](=[O:46])[O:47][CH3:48])[cH:40][cH:41][cH:42][cH:43]3)[cH:36][cH:37]2)[c:17]2[c:18]([cH:21][cH:22][cH:23][cH:24]2)[CH2:19][CH2:20]1)([CH3:26])[CH3:27]
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 103173513-t-butoxycarbonylamino-3-methyl-N-[2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepin-3-yl]-butanamide
HCID 21836575
4-Bromomethyl-2'-(methoxycarbonyl)amino-1,1'-biphenyl

Product 1

HCID 178501962tert-butyl N-[4-[[1-[[4-[2-(methoxycarbonylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-2-methyl-4-oxobutan-2-yl]carbamate

Sources & evidence

ORD record
ord-77bfeb24145b4fd09001fe378dc46d92
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes