Carbon Tetrachloride → 5-Bromomethyl-2-cyclopropyl-7-fluoro-6-phenyl-1,3-benzoxazole-4-carbonitrile

HRID 101277Notes

Reaction equation

HRID 101277 reaction equation
[Br:23][N:24]1[C:25](=[O:26])[CH2:27][CH2:28][C:29]1=[O:30].[C:43]([Cl:44])([Cl:45])([Cl:46])[Cl:47].[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:21]#[N:22])[c:10]([CH3:20])[c:11](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:12]3[F:13])[CH2:2][CH2:3]1.[N:31]([C:32]([CH3:33])([CH3:34])[C:35]#[N:36])=[N:37][C:38]([CH3:39])([CH3:40])[C:41]#[N:42]>>[CH:1]1([c:4]2[o:5][c:6]3[c:7]([n:8]2)[c:9]([C:21]#[N:22])[c:10]([CH2:20][Br:23])[c:11](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[c:12]3[F:13])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 5943Carbon TetrachlorideHCID 6547AzobisisobutyronitrileHCID 67184N-bromobutanimideHCID 510414282-Cyclopropyl-7-fluoro-5-methyl-6-phenylbenzoxazole-4-carbonitrile

Product 1

HCID 685850015-Bromomethyl-2-cyclopropyl-7-fluoro-6-phenyl-1,3-benzoxazole-4-carbonitrile

Sources & evidence

ORD record
ord-2a7abb61efe24084802e916a8d7de01c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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