Acetic Acid → HCID 13478356, compound

HRID 203657Notes

Reaction equation

HRID 203657 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:43](=[O:44])([O-:45])[O-:46].[C:5]([OH:6])(=[O:7])[CH3:8].[C:9]([OH:10])(=[O:11])[CH3:12].[CH3:13][c:14]1[c:15]([N:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[c:16]([NH2:21])[n:17][c:18]([NH2:20])[n:19]1.[CH3:49][S:50]([CH3:51])=[O:52].[F-:41].[F:28][c:29]1[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[N:38]([CH3:39])[CH3:40])[cH:33][cH:34]1.[K+:42].[K+:47].[K+:48].[OH2:53]>>[CH3:13][c:14]1[c:15]([N:22]2[CH2:23][CH2:24][N:25]([c:29]3[cH:30][cH:31][c:32]([S:35](=[O:36])(=[O:37])[N:38]([CH3:39])[CH3:40])[cH:33][cH:34]3)[CH2:26][CH2:27]2)[c:16]([NH2:21])[n:17][c:18]([NH2:20])[n:19]1

Participants

9

Reactant 8

HCID 176Acetic Acid3×HCID 679Dimethyl SulfoxideHCID 813Potassium Cation3×HCID 962WaterHCID 19660Carbonate IonHCID 28179Fluoride IonHCID 391852HCID 391852, compoundHCID 7993014-fluoro-N,N-dimethylbenzenesulfonamide

Product 1

HCID 13478356HCID 13478356, compound

Sources & evidence

ORD record
ord-b0ace72fbd3145fcb49ae951800678be
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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