Benzene → Bromobutide

HRID 1223955

Reaction equation

HRID 1223955 reaction equation
[Br:17][CH:18]([C:19](=[O:20])[Cl:21])[C:22]([CH3:23])([CH3:24])[CH3:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([CH3:15])[NH2:16].[cH:1]1[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[CH3:7][C:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([CH3:15])[NH:16][C:19]([CH:18]([Br:17])[C:22]([CH3:23])([CH3:24])[CH3:25])=[O:20]

Participants

5

Reactant 4

HCID 241BenzeneHCID 8471TriethylamineHCID 68509CumylamineHCID 108676212-Bromo-3,3-dimethylbutanoyl chloride

Product 1

HCID 53079Bromobutide

Sources & evidence

ORD record
ord-d6bc93f614a64a01997996257c23a5bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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