Bicarbonate Ion → 5-(1,1-Dimethylheptyl)-2-(3-hydroxycyclohexyl)phenol

HRID 151431Notes

Reaction equation

HRID 151431 reaction equation
[C:31](=[O:32])([OH:33])[O-:34].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([CH:24]2[CH2:25][CH:26]([OH:30])[CH2:27][CH2:28][CH2:29]2)[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1.[H:36][H:37].[Na+:35]>>[OH:8][c:9]1[c:10]([CH:24]2[CH2:25][CH:26]([OH:30])[CH2:27][CH2:28][CH2:29]2)[cH:11][cH:12][c:13]([C:15]([CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])([CH3:22])[CH3:23])[cH:14]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 12788209HCID 12788209, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 99960325-(1,1-Dimethylheptyl)-2-(3-hydroxycyclohexyl)phenol

Sources & evidence

ORD record
ord-7936defd3aa64381a6b9c7741cb4f3f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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