Miconazole → Bromide ion

HRID 1539128Notes

Reaction equation

HRID 1539128 reaction equation
[Br:26][CH:27]([C:28](=[O:29])[NH:30][CH2:31][c:32]1[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]1)[CH3:39].[CH3:40][C:41]#[N:42].[Cl:1][c:2]1[c:3]([CH:4]([CH2:5][n:6]2[cH:7][n:8][cH:9][cH:10]2)[O:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:21][cH:22][c:23]([Cl:25])[cH:24]1>>[Br-:26].[Cl:1][c:2]1[c:3]([CH:4]([CH2:5][n+:6]2[cH:7][n:8]([CH:27]([C:28](=[O:29])[NH:30][CH2:31][c:32]3[cH:33][cH:34][c:35]([CH3:38])[cH:36][cH:37]3)[CH3:39])[cH:9][cH:10]2)[O:11][CH2:12][c:13]2[c:14]([Cl:20])[cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[cH:21][cH:22][c:23]([Cl:25])[cH:24]1

Participants

5

Reactant 3

HCID 4189MiconazoleHCID 6342AcetonitrileHCID 21443167HCID 21443167, compound

Product 2

HCID 259Bromide ionHCID 54143523HCID 54143523, compound

Sources & evidence

ORD record
ord-3966472398414e8587e6727aa83a892e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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