Acetonitrile → HCID 57986812, compound

HRID 1233446Notes

Reaction equation

HRID 1233446 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15][o:16][c:17]([CH2:19][O:20][S:21]([CH3:22])(=[O:23])=[O:24])[n:18]2)[CH2:12][CH2:13]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]1.[CH3:42][C:43]#[N:44].[Cs+:40].[Cs+:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([c:14]2[n:15][o:16][c:17]([CH2:19][O:20][c:32]3[cH:31][cH:30][c:29]([S:26]([CH3:25])(=[O:27])=[O:28])[cH:34][cH:33]3)[n:18]2)[CH2:12][CH2:13]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 1233504-(Methylsulfonyl)phenolHCID 579868504-(5-Methanesulfonyloxymethyl-[1,2,4]oxadiazol-3-yl)-piperidine-1-carboxylic acid tert-butyl ester

Product 1

HCID 57986812HCID 57986812, compound

Sources & evidence

ORD record
ord-e1d8d782bcc34186af0018097b037e78
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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