Sodium ion → ethyl 4-(2-chloropyriMidin-4-yl)benzoate

HRID 320285Notes

Reaction equation

HRID 320285 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9]([B:12]([OH:13])[OH:14])[cH:10][cH:11]1.[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[Cl:15][c:16]1[n:17][cH:18][cH:19][c:20]([Cl:22])[n:21]1.[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][cH:8][c:9](-[c:20]2[cH:19][cH:18][n:17][c:16]([Cl:15])[n:21]2)[cH:10][cH:11]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 1140TolueneHCID 19660Carbonate IonHCID 775312,4-DichloropyrimidineHCID 27343504-Ethoxycarbonylphenylboronic acid

Product 1

HCID 11065261ethyl 4-(2-chloropyriMidin-4-yl)benzoate

Sources & evidence

ORD record
ord-f4f1fac56d6a47e8afff50c9c8e62a52
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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