Carbon Tetrachloride → {4-[5-(4-Fluoro-2-methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-3-phenyl-isoxazol-5-yl}-methanol

HRID 292585

Reaction equation

HRID 292585 reaction equation
[Br:27][N:28]1[C:29](=[O:33])[CH2:30][CH2:31][C:32]1=[O:34].[C:47]([Cl:48])([Cl:49])([Cl:50])[Cl:51].[F:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH3:18])[n:11][n:12]2)[cH:6][cH:7]1.[N:35]([C:36]([CH3:37])([CH3:38])[C:39]#[N:40])=[N:41][C:42]([CH3:43])([CH3:44])[C:45]#[N:46]>>[F:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[o:9][c:10](-[c:13]3[c:14](-[c:19]4[cH:20][cH:21][cH:22][cH:23][cH:24]4)[n:15][o:16][c:17]3[CH2:18][OH:33])[n:11][n:12]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 5943Carbon TetrachlorideHCID 6547AzobisisobutyronitrileHCID 67184N-bromobutanimideHCID 167226452-(4-Fluoro-2-methoxy-phenyl)-5-(5-methyl-3-phenyl-isoxazol-4-yl)-[1,3,4]oxadiazole

Product 1

HCID 16723059{4-[5-(4-Fluoro-2-methoxy-phenyl)-[1,3,4]oxadiazol-2-yl]-3-phenyl-isoxazol-5-yl}-methanol

Sources & evidence

ORD record
ord-87a5f6a36a5148e2972aed1a108ce1c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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