Benzoyl Peroxide → 2-(3-Bromomethylbenzo[d]isoxazol-6-yloxy)-5-fluorobenzonitrile

HRID 1204171Notes

Reaction equation

HRID 1204171 reaction equation
[Br:21][N:22]1[C:23](=[O:24])[CH2:25][CH2:26][C:27]1=[O:28].[C:29]([O:30][O:31][C:32](=[O:33])[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)(=[O:40])[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:47][c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[Cl:54].[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[c:14]([c:15]([CH3:18])[n:16][o:17]3)[cH:19][cH:20]2)[c:6]([C:7]#[N:8])[cH:9]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[c:14]([c:15]([CH2:18][Br:21])[n:16][o:17]3)[cH:19][cH:20]2)[c:6]([C:7]#[N:8])[cH:9]1

Participants

5

Reactant 4

HCID 7187Benzoyl PeroxideHCID 72391,2-DichlorobenzeneHCID 67184N-bromobutanimideHCID 574841185-Fluoro-2-(3-methyl-benzo[d]isoxazol-6-yloxy)-benzonitrile

Product 1

HCID 674092672-(3-Bromomethylbenzo[d]isoxazol-6-yloxy)-5-fluorobenzonitrile

Sources & evidence

ORD record
ord-3b6cbeed420d43c3932ea71de929407d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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