Acetic Acid → HCID 178446605, compound

HRID 1213282Notes

Reaction equation

HRID 1213282 reaction equation
[C:3](=[O:4])([CH3:5])[S:6][CH2:7][CH:8]([C:9](=[O:10])[NH:11][CH:12]([CH2:13][CH2:14][CH2:15][CH3:16])[C:17](=[O:18])[OH:19])[C:20]([F:21])([F:22])[F:23].[CH3:31][OH:32].[CH3:33][C:34](=[O:35])[OH:36].[CH3:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[K+:29].[NH4+:1].[OH-:2].[OH2:30].[S:24](=[O:25])(=[O:26])([OH:27])[O-:28]>>[SH:6][CH2:7][CH:8]([C:9](=[O:10])[NH:11][CH:12]([CH2:13][CH2:14][CH2:15][CH3:16])[C:17](=[O:18])[OH:19])[C:20]([F:21])([F:22])[F:23]

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 223AmmoniumHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8058HexaneHCID 8857Ethyl AcetateHCID 61778Sulfate, hydrogenHCID 178446602HCID 178446602, compound

Product 1

HCID 178446605HCID 178446605, compound

Sources & evidence

ORD record
ord-e3c520ace3684e9ca8ee3a681ab28779
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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