Toluene → 3-(2-Chloro-6-fluorophenyl)-5-[2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile

Reaction equation

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

Participants

Reactant 4

HCID 1140Toluene

HCID 5943Carbon Tetrachloride

HCID 79885tert-Butoxy bis(dimethylamino)methane

HCID 27365803-(2-Chloro-6-fluorophenyl)-5-methylisoxazole-4-carbonitrile

Product 1

HCID 14731783-(2-Chloro-6-fluorophenyl)-5-[2-(dimethylamino)ethenyl]-1,2-oxazole-4-carbonitrile

Sources & evidence

ORD record: ord-a64d92beaeb142c9a3ee62bee7cbcc30
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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