Acetonitrile → HCID 67191479, compound

HRID 1218916Notes

Reaction equation

HRID 1218916 reaction equation
[C:19](#[N:20])[c:21]1[cH:22][c:23]([OH:27])[cH:24][cH:25][cH:26]1.[C:28](=[O:29])([O-:30])[O-:31].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([Cl:18])[n:8][c:9](-[c:12]2[cH:13][n:14][cH:15][cH:16][cH:17]2)[n:10][cH:11]1.[CH3:34][C:35]#[N:36].[Cs+:32].[Cs+:33]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:27][c:23]2[cH:22][c:21]([C:19]#[N:20])[cH:26][cH:25][cH:24]2)[n:8][c:9](-[c:12]2[cH:13][n:14][cH:15][cH:16][cH:17]2)[n:10][cH:11]1

Participants

6

Reactant 5

HCID 6342AcetonitrileHCID 133943-CyanophenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 24903914Ethyl 4-chloro-2-(pyridin-3-yl)pyrimidine-5-carboxylate

Product 1

HCID 67191479HCID 67191479, compound

Sources & evidence

ORD record
ord-e99d5aa5f8794296b300689ac3557022
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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