5-Bromo-2-fluorobenzonitrile → 5-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile

HRID 2325138Notes

Reaction equation

HRID 2325138 reaction equation
[Br:16][c:17]1[cH:18][cH:19][c:20]([F:25])[c:21]([C:22]#[N:23])[cH:24]1.[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[C:7]([CH3:13])([CH3:14])[O:8][CH2:9][C:10](=[O:12])[NH:11]2>>[c:2]1(-[c:17]2[cH:18][cH:19][c:20]([F:25])[c:21]([C:22]#[N:23])[cH:24]2)[cH:3][cH:4][c:5]2[c:6]([cH:15]1)[C:7]([CH3:13])([CH3:14])[O:8][CH2:9][C:10](=[O:12])[NH:11]2

Participants

3

Reactant 2

HCID 27249005-Bromo-2-fluorobenzonitrileHCID 688658147-bromo-5,5-dimethyl-1,5-dihydro-4,1-benzoxazepin-2(3H)-one

Product 1

HCID 249570985-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-2-fluorobenzonitrile

Sources & evidence

ORD record
ord-84ca7367f5dc4537a5886ed15c58a812
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…