Acetonitrile → HCID 59202007, compound

HRID 1151663Notes

Reaction equation

HRID 1151663 reaction equation
[Br:21][CH2:22][CH:23]=[C:24]([Cl:25])[Cl:26].[C:15](=[O:16])([O-:17])[O-:18].[CH3:29][C:30]#[N:31].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][NH:9][C:10]([CH3:11])=[N:12][C:13]#[N:14])[cH:6][n:7]1.[Cs+:19].[Cs+:20].[Cs+:28].[I-:27]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][N:9]([C:10]([CH3:11])=[N:12][C:13]#[N:14])[CH2:22][CH:23]=[C:24]([Cl:25])[Cl:26])[cH:6][n:7]1

Participants

7

Reactant 6

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation3×HCID 126424063-Bromo-1,1-dichloroprop-1-eneHCID 178464613HCID 178464613, compound

Product 1

HCID 59202007HCID 59202007, compound

Sources & evidence

ORD record
ord-41c0361645bb42af8c450357e5197b54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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