Acetonitrile → HCID 12042520, compound

HRID 154230Notes

Reaction equation

HRID 154230 reaction equation
[Br:20][CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29].[C:1](=[O:2])([O-:3])[O-:4].[CH3:30][C:31]#[N:32].[CH3:7][c:8]1[n:9][c:10](-[c:13]2[cH:14][c:15]([OH:19])[cH:16][cH:17][cH:18]2)[n:11][o:12]1.[Cs+:5].[Cs+:6]>>[CH3:7][c:8]1[n:9][c:10](-[c:13]2[cH:14][c:15]([O:19][CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH2:27][CH2:28][CH3:29])[cH:16][cH:17][cH:18]2)[n:11][o:12]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 79071Ethyl 2-bromovalerateHCID 104967Cesium cation2×HCID 120425193-(5-methyl-1,2,4-oxadiazol-3-yl)phenol

Product 1

HCID 12042520HCID 12042520, compound

Sources & evidence

ORD record
ord-cea2a05e9ff34792a625b96100ccb408
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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