Acetonitrile → HCID 57941280, compound

HRID 103154Notes

Reaction equation

HRID 103154 reaction equation
[C:36](=[O:37])([O-:38])[O-:39].[CH2:19]([CH3:20])[O:21][C:22]([CH2:23][c:24]1[cH:25][cH:26][c:27]([O:30][CH2:31][CH2:32][CH2:33][Br:34])[cH:28][cH:29]1)=[O:35].[CH3:42][C:43]#[N:44].[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][c:17]3[CH3:18])[c:5]([OH:8])[cH:6][cH:7]1.[Cs+:40].[Cs+:41]>>[Cl:1][c:2]1[cH:3][c:4](-[n:9]2[n:10][c:11]3[c:12]([n:13]2)[cH:14][cH:15][cH:16][c:17]3[CH3:18])[c:5]([O:8][CH2:33][CH2:32][CH2:31][O:30][c:27]2[cH:26][cH:25][c:24]([CH2:23][C:22]([O:21][CH2:19][CH3:20])=[O:35])[cH:29][cH:28]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 9995011HCID 9995011, compoundHCID 68718127HCID 68718127, compound

Product 1

HCID 57941280HCID 57941280, compound

Sources & evidence

ORD record
ord-66ec2f088b7b43cf91a73377ecc570bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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