Bicarbonate Ion → 4-(2-ethyl-1,3-dioxan-2-yl)-2-methoxypyridine

HRID 111411Notes

Reaction equation

HRID 111411 reaction equation
[CH2:13]([CH2:14][CH2:15][OH:16])[OH:17].[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([C:9]([CH2:10][CH3:11])=[O:12])[cH:8]1.[CH3:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[Na+:39].[O-:35][C:36]([OH:37])=[O:38].[OH2:23].[S:18](=[O:19])(=[O:20])([OH:21])[OH:22].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[CH3:1][O:2][c:3]1[n:4][cH:5][cH:6][c:7]([C:9]2([CH2:10][CH3:11])[O:12][CH2:13][CH2:14][CH2:15][O:16]2)[cH:8]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 1118Sulfuric AcidHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 104421,3-PropanediolHCID 119644172-Methoxy-4-propionylpyridine

Product 1

HCID 108467324-(2-ethyl-1,3-dioxan-2-yl)-2-methoxypyridine

Sources & evidence

ORD record
ord-39f2ee9f544c43de80b4c50549e30d94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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