Acetonitrile → HCID 57559919, compound

HRID 1541549Notes

Reaction equation

HRID 1541549 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH3:29][C:30]#[N:31].[Cl:1][CH2:2][CH:3]([CH2:4][NH:5][CH:6]([c:7]1[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1)[OH:22].[Cs+:27].[Cs+:28]>>[CH2:2]1[CH:3]([OH:22])[CH2:4][N:5]1[CH:6]([c:7]1[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][c:18]([Cl:21])[cH:19][cH:20]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 670553443-[[(3-Chloro-2-hydroxypropyl)amino]-(4-chlorophenyl)methyl]benzonitrile

Product 1

HCID 57559919HCID 57559919, compound

Sources & evidence

ORD record
ord-c1a7539b301f46b298c8a8790eb02ff4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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