Acetonitrile → 5-Bromo-2-chloro-4-hydroxybenzonitrile

HRID 1229459

Reaction equation

HRID 1229459 reaction equation
[CH3:58][C:59]#[N:60].[Cl:11][c:12]1[c:13]([CH2:14][c:15]2[s:16][c:17](-[c:18]3[o:19][cH:20][cH:21][cH:22]3)[n:23][n:24]2)[cH:25][c:26]([CH:27]2[CH:28]([OH:29])[CH:30]([OH:31])[CH:32]([OH:33])[CH:34]([CH2:35][OH:36])[O:37]2)[c:38]([O:39][CH3:40])[cH:41]1.[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][cH:7][c:8]([OH:10])[cH:9]1.[O:50]=[C:51]1[N:52]([Br:57])[C:53](=[O:54])[CH2:55][CH2:56]1.[OH:42][S:43]([C:44]([F:45])([F:46])[F:47])(=[O:48])=[O:49]>>[Cl:1][c:2]1[c:3]([C:4]#[N:5])[cH:6][c:7]([Br:57])[c:8]([OH:10])[cH:9]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 62406Trifluoromethanesulfonic acidHCID 67184N-bromobutanimideHCID 5927972-Chloro-4-hydroxybenzonitrileHCID 75303410HCID 75303410, compound

Product 1

HCID 533304525-Bromo-2-chloro-4-hydroxybenzonitrile

Sources & evidence

ORD record
ord-5b8b6270e4e149eda50a7ca40a9e05fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Linked notes

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