Acetic Acid → HCID 178459356, compound

HRID 1214480Notes

Reaction equation

HRID 1214480 reaction equation
[C:59](=[O:60])([O-:61])[OH:62].[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][C:10]([C:13]2=[C:14]([C:31](=[O:32])[O:33][CH2:34][CH:35]=[CH2:36])[N:15]3[C:16](=[O:30])[CH:17]([CH:20]([C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][O:26][SiH:27]([CH3:28])[CH3:29])[CH:18]3[CH2:19]2)=[CH:11][CH2:12]1.[CH3:37][C:38]([OH:39])=[O:40].[CH3:42][CH2:43][CH2:44][CH2:45][N+:46]([CH2:47][CH2:48][CH2:49][CH3:50])([CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH2:57][CH3:58].[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[F-:41].[Na+:63].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:69]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][C:10]([C:13]2=[C:14]([C:31](=[O:32])[O:33][CH2:34][CH:35]=[CH2:36])[N:15]3[C:16](=[O:30])[CH:17]([CH:38]([CH3:37])[OH:39])[CH:18]3[CH2:19]2)=[CH:11][CH2:12]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178459357HCID 178459357, compound

Product 1

HCID 178459356HCID 178459356, compound

Sources & evidence

ORD record
ord-14efd59ad8374adba0c697a52755d7b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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