Bicarbonate Ion → ((3aR,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol

HRID 1219262Notes

Reaction equation

HRID 1219262 reaction equation
[CH3:20][O:21][C:22]([CH3:23])([CH3:24])[O:25][CH3:26].[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:11]1[CH:12]([OH:19])[CH:13]([OH:18])[CH:14]([CH2:16][OH:17])[CH2:15]1)[cH:9][cH:10]2.[Na+:43].[O-:39][C:40]([OH:41])=[O:42].[OH2:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:11]1[CH:12]3[CH:13]([CH:14]([CH2:16][OH:17])[CH2:15]1)[O:18][C:22]([CH3:23])([CH3:24])[O:19]3)[cH:9][cH:10]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 64952,2-DimethoxypropaneHCID 123816436HCID 123816436, compound

Product 1

HCID 123364070((3aR,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)methanol

Sources & evidence

ORD record
ord-e5d938acec634635b7315368cc6cd8d9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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