Acetic Acid → HCID 178459852, compound

HRID 1228593Notes

Reaction equation

HRID 1228593 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[NH:7][CH2:8][CH:9]([CH2:10][NH:11][C:12](=[O:13])[O:14][CH2:15][CH:16]=[CH2:17])[C:18]1=[C:19]([C:36](=[O:37])[O:38][CH2:39][CH:40]=[CH2:41])[N:20]2[C:21](=[O:35])[CH:22]([CH:25]([CH3:26])[O:27][Si:28]([C:29]([CH3:30])([CH3:31])[CH3:32])([CH3:33])[CH3:34])[CH:23]2[CH2:24]1.[CH3:42][C:43](=[O:44])[OH:45].[CH3:47][CH2:48][CH2:49][CH2:50][N+:51]([CH2:52][CH2:53][CH2:54][CH3:55])([CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[F-:46].[O:70]1[CH2:71][CH2:72][CH2:73][CH2:74]1.[OH2:75]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[NH:7][CH2:8][CH:9]([CH2:10][NH:11][C:12](=[O:13])[O:14][CH2:15][CH:16]=[CH2:17])[C:18]1=[C:19]([C:36](=[O:37])[O:38][CH2:39][CH:40]=[CH2:41])[N:20]2[C:21](=[O:35])[CH:22]([CH:25]([CH3:26])[OH:27])[CH:23]2[CH2:24]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178459853HCID 178459853, compound

Product 1

HCID 178459852HCID 178459852, compound

Sources & evidence

ORD record
ord-bddee50ff1b841d4a4854da505b8218a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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