Acetic Acid → HCID 68115934, compound

HRID 134685Notes

Reaction equation

HRID 134685 reaction equation
[C:53]([OH:54])(=[O:55])[CH3:56].[CH2:58]([N+:59]([CH2:60][CH2:61][CH2:62][CH3:63])([CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH2:70][CH3:71])[CH2:72][CH2:73][CH3:74].[CH2:80]1[O:81][CH2:82][CH2:83][CH2:84]1.[CH3:1][C:2]([Si:3]([c:4]1[cH:5][cH:41][cH:42][cH:43][cH:44]1)([O:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:12][P:13](=[O:14])([O:15][CH3:16])[CH:17]=[CH:18][c:19]1[c:20]([CH:38]([CH3:39])[CH3:40])[n:21][c:22](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][c:24]1-[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1)[c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)([CH3:51])[CH3:52].[F-:57].[Na+:79].[O-:75][C:76]([OH:77])=[O:78]>>[OH:6][CH:7]([CH2:8][C:9](=[O:10])[OH:11])[CH2:12][P:13](=[O:14])([O:15][CH3:16])[CH:17]=[CH:18][c:19]1[c:20]([CH:38]([CH3:39])[CH3:40])[n:21][c:22](-[c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[cH:23][c:24]1-[c:25]1[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178502942HCID 178502942, compound

Product 1

HCID 68115934HCID 68115934, compound

Sources & evidence

ORD record
ord-0b8b47ce4f954880a70fa042957c3025
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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