Bicarbonate Ion → 4,5-Dihydroxy-3-methoxy-3-methylhexanal

HRID 2347105Notes

Reaction equation

HRID 2347105 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][C:6]([OH:7])=[O:8].[C:16]([Cl:17])(=[O:18])[C:19]([CH3:20])([CH3:21])[CH3:22].[CH3:23][CH2:24][CH:25]1[C:26]([OH:27])([CH3:28])[CH:29]([OH:30])[CH:31]([CH3:44])[N:45]([CH3:46])[CH2:47][CH:48]([CH3:49])[CH2:50][C:51]([OH:52])([CH3:53])[CH:54]([O:55][CH:56]2[CH:57]([OH:58])[CH:59]([N:60]([CH3:61])[CH3:62])[CH2:63][CH:64]([CH3:65])[O:66]2)[CH:67]([CH3:68])[CH:69]([O:32][CH:33]2[CH2:34][C:35]([CH3:36])([O:37][CH3:38])[CH:39]([OH:40])[CH:41]([CH3:42])[O:43]2)[CH:70]([CH3:71])[C:72](=[O:73])[O:74]1.[CH3:9][CH2:10][N:11]([CH2:12][CH3:13])[CH2:14][CH3:15].[Cl:80][CH2:81][Cl:82].[Na+:79].[O-:75][C:76]([OH:77])=[O:78]>>[O:32]=[CH:33][CH2:34][C:35]([CH3:36])([O:37][CH3:38])[CH:39]([OH:40])[CH:41]([CH3:42])[OH:43]

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 226911-[4-(Dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-oneHCID 6344DichloromethaneHCID 8471TriethylamineHCID 163685-Bromovaleric acidHCID 62493Pivaloyl chloride

Product 1

HCID 218946934,5-Dihydroxy-3-methoxy-3-methylhexanal

Sources & evidence

ORD record
ord-5ae813366c82489491f13e65a1fa8a62
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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