Bicarbonate Ion → Methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-2-methoxybenzoate

HRID 197047Notes

Reaction equation

HRID 197047 reaction equation
[C:35](=[O:36])([OH:37])[O-:38].[CH2:31]([OH:32])[CH2:33][CH3:34].[CH3:10][O:11][c:12]1[c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18][cH:19][c:20]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:21]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[c:6]([Cl:8])[n:7]1.[Na+:39]>>[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:9])[c:6](-[c:20]2[cH:19][cH:18][c:13]([C:14](=[O:15])[O:16][CH3:17])[c:12]([O:11][CH3:10])[cH:21]2)[n:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 10311-PropanolHCID 1140TolueneHCID 74508Pyrimidine, 2,4-dichloro-5-methyl-HCID 22171502Methyl 2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

Product 1

HCID 86643815Methyl 4-(2-chloro-5-methylpyrimidin-4-yl)-2-methoxybenzoate

Sources & evidence

ORD record
ord-1f97688d6df14b0e9f965480500785b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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