Acetonitrile → 2-(1,1-Difluoroethyl)-1-{[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(trifluoromethyl)-1H-indole-5-carbonitrile

HRID 320912Notes

Reaction equation

HRID 320912 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:41][C:42]#[N:43].[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[Cl:26][CH2:27][c:28]1[n:29][o:30][c:31](-[c:33]2[cH:34][c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]2)[n:32]1.[Cs+:24].[Cs+:25].[F:1][C:2]([CH3:3])([F:4])[c:5]1[nH:6][c:7]2[cH:8][cH:9][c:10]([C:18]#[N:19])[c:11]([C:14]([F:15])([F:16])[F:17])[c:12]2[cH:13]1>>[F:1][C:2]([CH3:3])([F:4])[c:5]1[n:6]([CH2:27][c:28]2[n:29][o:30][c:31](-[c:33]3[cH:34][c:35]([F:40])[cH:36][c:37]([F:39])[cH:38]3)[n:32]2)[c:7]2[cH:8][cH:9][c:10]([C:18]#[N:19])[c:11]([C:14]([F:15])([F:16])[F:17])[c:12]2[cH:13]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 431202093-(Chloromethyl)-5-(3,5-difluorophenyl)-1,2,4-oxadiazoleHCID 674048012-(1,1-difluoroethyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile

Product 1

HCID 866207322-(1,1-Difluoroethyl)-1-{[5-(3,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl}-4-(trifluoromethyl)-1H-indole-5-carbonitrile

Sources & evidence

ORD record
ord-2363084c9f5547228ca639a4a56feeab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…