Acetic Acid → HCID 178459436, compound

HRID 90675Notes

Reaction equation

HRID 90675 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][Cl: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.[CH3:43][C:44](=[O:45])[OH:46].[CH3:48][CH2:49][CH2:50][CH2:51][N+:52]([CH2:53][CH2:54][CH2:55][CH3:56])([CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH2:63][CH3:64].[CH3:65][CH2:66][O:67][C:68](=[O:69])[CH3:70].[F-:47].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1>>[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][Cl: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

7

Reactant 6

HCID 176Acetic AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178459437HCID 178459437, compound

Product 1

HCID 178459436HCID 178459436, compound

Sources & evidence

ORD record
ord-b2933ac4cdf347b29abcb18e5ba836f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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