Acetic Acid → HCID 178459438, compound

HRID 672583Notes

Reaction equation

HRID 672583 reaction equation
[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH2:38][O:39][CH2:40][CH2:41][F:42])[CH2:9][CH:10]([S:12][C:13]2=[C:14]([C:32](=[O:33])[O:34][CH2:35][CH:36]=[CH2:37])[N:15]3[C:16](=[O:31])[CH:17]([CH:21]([CH3:22])[O:23][Si:24]([C:25]([CH3:26])([CH3:27])[CH3:28])([CH3:29])[CH3:30])[CH:18]3[CH:19]2[CH3:20])[CH2:11]1.[CH3:44][CH2:45][CH2:46][CH2:47][N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:73][C:74](=[O:75])[OH:76].[F-:43].[O:68]1[CH2:69][CH2:70][CH2:71][CH2:72]1.[OH2:61]>>[CH2:1]([CH:2]=[CH2:3])[O:4][C:5](=[O:6])[N:7]1[CH:8]([CH2:38][O:39][CH2:40][CH2:41][F:42])[CH2:9][CH:10]([S:12][C:13]2=[C:14]([C:32](=[O:33])[O:34][CH2:35][CH:36]=[CH2:37])[N:15]3[C:16](=[O:31])[CH:17]([CH:21]([CH3:22])[OH:23])[CH:18]3[CH:19]2[CH3:20])[CH2:11]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178459439HCID 178459439, compound

Product 1

HCID 178459438HCID 178459438, compound

Sources & evidence

ORD record
ord-e7d48e0f33464569b5d6af0e004d839d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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