Bromide ion → HCID 21201590, compound

HRID 124182Notes

Reaction equation

HRID 124182 reaction equation
[Br-:46].[Br:25][CH2:26][C:27](=[O:28])[c:29]1[c:30]([CH3:35])[cH:31][cH:32][cH:33][cH:34]1.[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[ClH:38].[Na+:37].[O:1]=[C:2]1[CH:3]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:4][N:5]([C:14]([CH3:15])=[O:16])[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[NH:8]1.[OH-:36]>>[O:1]=[C:2]1[CH:3]([NH:17][C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:4][N:5]([C:14]([CH3:15])=[O:16])[c:6]2[c:7]([cH:9][c:10]([CH3:13])[cH:11][cH:12]2)[N:8]1[CH2:26][C:27](=[O:28])[c:29]1[c:30]([CH3:35])[cH:31][cH:32][cH:33][cH:34]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 1140TolueneHCID 16028TetrabutylammoniumHCID 124306762-Bromo-2'-methylacetophenoneHCID 212016002-oxo-3-tert-butoxycarbonylamino-5-acetyl-8-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine

Product 1

HCID 21201590HCID 21201590, compound

Sources & evidence

ORD record
ord-9b0198f0abb64e55a5e6bd7c0da814d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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