Acetic Acid → HCID 178446605, compound

HRID 173404Notes

Reaction equation

HRID 173404 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].[CH3:30][CH2:31][O:32][C:33](=[O:34])[CH3:35].[CH3:37][OH:38].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[K+:29].[NH4+:1].[OH-:2].[OH2:36].[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-2c71c23885804d50bd1f46f86eaa3f88
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…