Bicarbonate Ion → Tert-butyl 2-[(3-hydroxycyclohexyl)methoxy]-2-methylpropanoate

HRID 1150595Notes

Reaction equation

HRID 1150595 reaction equation
[C:49](=[O:50])([OH:51])[O-:52].[CH3:1][C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[O:11][CH2:12][CH:13]1[CH2:14][CH:15]([O:19][CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][O:25]2)[CH2:16][CH2:17][CH2:18]1.[CH:54]([OH:55])([CH3:56])[CH3:57].[Na+:53].[OH2:26].[c:27]1([CH3:28])[c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35][cH:36][cH:37]1.[c:38]1([CH3:39])[c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][C:2]([C:3](=[O:4])[O:5][C:6]([CH3:7])([CH3:8])[CH3:9])([CH3:10])[O:11][CH2:12][CH:13]1[CH2:14][CH:15]([OH:19])[CH2:16][CH2:17][CH2:18]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 3776IsopropanolHCID 69252-Methylbenzenesulfonic acid2×HCID 72472851HCID 72472851, compound

Product 1

HCID 58934118Tert-butyl 2-[(3-hydroxycyclohexyl)methoxy]-2-methylpropanoate

Sources & evidence

ORD record
ord-f505922a1d98480ab127827e7101e21d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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