Acetic Acid → HCID 10572092, compound

HRID 189893Notes

Reaction equation

HRID 189893 reaction equation
[CH3:43][C:44](=[O:45])[OH:46].[CH3:48][CH2:49][OH:50].[CH3:5][O:6][c:7]1[c:8]([N:13]2[CH2:14][CH2:15][CH:16]([CH2:19][NH:20][CH2:21][CH:22]3[CH2:23][O:24][c:25]4[c:26]([c:28]([O:32][S:33]([c:34]5[cH:35][cH:36][c:37]([CH3:38])[cH:39][cH:40]5)(=[O:41])=[O:42])[cH:29][cH:30][cH:31]4)[O:27]3)[CH2:17][CH2:18]2)[cH:9][cH:10][cH:11][cH:12]1.[ClH:3].[ClH:4].[K+:2].[OH-:1].[OH2:47]>>[CH3:5][O:6][c:7]1[c:8]([N:13]2[CH2:14][CH2:15][CH:16]([CH2:19][NH:20][CH2:21][CH:22]3[CH2:23][O:24][c:25]4[c:26]([c:28]([OH:32])[cH:29][cH:30][cH:31]4)[O:27]3)[CH2:17][CH2:18]2)[cH:9][cH:10][cH:11][cH:12]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric Acid2×HCID 702EthanolHCID 813Potassium CationHCID 961HydroxideHCID 962WaterHCID 10840124HCID 10840124, compound

Product 1

HCID 10572092HCID 10572092, compound

Sources & evidence

ORD record
ord-6031f468f57c485ea89533ded03b4e41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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