Acetonitrile → HCID 86620674, compound

HRID 2158253Notes

Reaction equation

HRID 2158253 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([CH2:2][CH2:3][CH3:4])[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.[CH3:43][C:44]#[N:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:20][CH2:21][c:22]1[n:23][o:24][c:25](-[c:27]2[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]2)[n:26]1.[Cs+:41].[Cs+:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6]([CH2:21][c:22]2[n:23][o:24][c:25](-[c:27]3[cH:28][c:29]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:31][cH:32]3)[n:26]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 27366223-(Chloromethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazoleHCID 67405122HCID 67405122, compound

Product 1

HCID 86620674HCID 86620674, compound

Sources & evidence

ORD record
ord-52c857ec0af943a9b3187d27d5bb6e58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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