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Bromide ion → 1-(2-toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-benzyloxycarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

HRID 804838
Notes
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Reaction equation

HRID 804838 reaction equation
[Br-:52].[Br:32][CH2:33][C:34](=[O:35])[c:36]1[c:37]([CH3:42])[cH:38][cH:39][cH:40][cH:41]1.[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].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Na+:44].[O:1]=[C:2]1[CH:3]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:4][N:5]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[OH-:43]>>[O:1]=[C:2]1[CH:3]([NH:24][C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:4][N:5]([C:14](=[O:15])[O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[N:8]1[CH2:33][C:34](=[O:35])[c:36]1[c:37]([CH3:42])[cH:38][cH:39][cH:40][cH:41]1
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 259Bromide ionHCID 923Sodium IonHCID 961HydroxideHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 124306762-Bromo-2'-methylacetophenoneHCID 212018322-oxo-3-tert-butoxycarbonylamino-5-benzyloxycarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

Product 1

HCID 212017461-(2-toluoylmethyl)-2-oxo-3-tert-butoxycarbonylamino-5-benzyloxycarbonyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

Sources & evidence

ORD record
ord-73f14d9918084d43a7ecaa10a2cba808
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes