Acetic Acid → HCID 178446604, compound

HRID 1124591Notes

Reaction equation

HRID 1124591 reaction equation
[C:1](=[O:2])([CH3:3])[S:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[OH:17])[C:18]([F:19])([F:20])[F:21].[CH3:28][CH2:29][O:30][C:31](=[O:32])[CH3:33].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[CH3:43][OH:44].[CH3:45][C:46](=[O:47])[OH:48].[K+:27].[NH4+:40].[OH-:41].[OH2:42].[S:22]([O-:23])([OH:24])(=[O:25])=[O:26]>>[SH:4][CH2:5][CH:6]([C:7](=[O:8])[NH:9][CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[C:15](=[O:16])[OH:17])[C:18]([F:19])([F:20])[F:21]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 178477119HCID 178477119, compound

Product 1

HCID 178446604HCID 178446604, compound

Sources & evidence

ORD record
ord-a0edfe4d08ad4d598f09a80c1bd017c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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