Methyl Ethyl Ketone → Bromide ion

HRID 292945Notes

Reaction equation

HRID 292945 reaction equation
[Br:18][CH2:19][CH2:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][CH2:29][c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][CH:36]([CH2:37][OH:38])[OH:39])[cH:40][cH:41]2)[cH:42][cH:43]1.[CH3:1][N:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Cl:16])[c:11]([NH2:15])[n:12][c:13]1[NH2:14])[CH3:17].[CH3:44][CH2:45][C:46](=[O:47])[CH3:48]>>[Br-:18].[CH3:1][N+:2]([CH2:3][CH2:4][NH:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Cl:16])[c:11]([NH2:15])[n:12][c:13]1[NH2:14])([CH3:17])[CH2:19][CH2:20][CH2:21][c:22]1[cH:23][cH:24][c:25]([O:26][CH2:27][CH2:28][CH2:29][c:30]2[cH:31][cH:32][c:33]([O:34][CH2:35][CH:36]([CH2:37][OH:38])[OH:39])[cH:40][cH:41]2)[cH:42][cH:43]1

Participants

5

Reactant 3

HCID 6569Methyl Ethyl KetoneHCID 151481303,5-Diamino-6-chloro-N-[2-(dimethylamino)ethyl]-2-pyrazinecarboxamideHCID 670291643-[4-[3-[4-(3-Bromopropyl)phenoxy]propyl]phenoxy]propane-1,2-diol

Product 2

HCID 259Bromide ionHCID 750478742-[(3,5-Diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[3-[4-[3-[4-(2,3-dihydroxypropoxy)phenyl]propoxy]phenyl]propyl]-dimethylazanium

Sources & evidence

ORD record
ord-851f651ba1a442e59205765e37466ca6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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