O-Cresol → HCID 69922894, compound

HRID 2157971Notes

Reaction equation

HRID 2157971 reaction equation
[C:27](=[O:28])([O-:29])[O-:30].[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][cH:14][n:15][cH:16][cH:17]2)[n:10][cH:11]1.[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[OH:26].[CH3:34][C:35]#[N:36].[Cs+:31].[Cs+:32].[OH2:33]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[c:7]([O:26][c:25]2[c:20]([CH3:19])[cH:21][cH:22][cH:23][cH:24]2)[n:8][c:9](-[c:12]2[cH:13][cH:14][n:15][cH:16][cH:17]2)[n:10][cH:11]1

Participants

7

Reactant 6

HCID 335O-CresolHCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 24903915Ethyl 4-chloro-2-(pyridin-4-yl)pyrimidine-5-carboxylate

Product 1

HCID 69922894HCID 69922894, compound

Sources & evidence

ORD record
ord-8a70b81bdcc441b4870d0eff202677f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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