Acetic Acid → HCID 178477183, compound

HRID 2133776Notes

Reaction equation

HRID 2133776 reaction equation
[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH2:72]1[O:73][CH2:74][CH2:75][CH2:76]1.[CH3:40][C:41](=[O:42])[OH:43].[CH3:45][CH2:46][CH2:47][CH2:48][N+:49]([CH2:50][CH2:51][CH2:52][CH3:53])([CH2:54][CH2:55][CH2:56][CH3:57])[CH2:58][CH2:59][CH2:60][CH3:61].[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[F-:44].[Na+:67].[O:1]=[C:2]1[CH:3]([CH:33]([CH3:34])[O:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[CH:4]2[CH2:5][C:6]([c:22]3[cH:23][c:24]([O:28][Si:29]([CH3:30])([CH3:31])[CH3:32])[cH:25][cH:26][cH:27]3)=[C:7]([C:9](=[O:10])[O:11][CH2:12][c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[N:8]12.[OH:68][C:69](=[O:70])[O-:71]>>[O:1]=[C:2]1[CH:3]([CH:33]([CH3:34])[O:35][Si:36]([CH3:37])([CH3:38])[CH3:39])[CH:4]2[CH2:5][C:6]([c:22]3[cH:23][c:24]([OH:28])[cH:25][cH:26][cH:27]3)=[C:7]([C:9](=[O:10])[O:11][CH2:12][c:13]3[cH:14][cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]3)[N:8]12

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028Tetrahydrofuran2×HCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178477184HCID 178477184, compound

Product 1

HCID 178477183HCID 178477183, compound

Sources & evidence

ORD record
ord-6dac7415a15d4c4aa36e346a1e21a412
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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