Acetic Acid → HCID 13478354, compound

HRID 1555749Notes

Reaction equation

HRID 1555749 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:41](=[O:42])([O-:43])[O-:44].[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.[CH3:47][S:48]([CH3:49])=[O:50].[F-:39].[F:28][c:29]1[cH:30][cH:31][c:32]([C:35]([F:36])([F:37])[F:38])[cH:33][cH:34]1.[K+:40].[K+:45].[K+:46].[OH2:51]>>[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]([C:35]([F:36])([F:37])[F:38])[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 67873Benzene, 1-fluoro-4-(trifluoromethyl)-HCID 391852HCID 391852, compound

Product 1

HCID 13478354HCID 13478354, compound

Sources & evidence

ORD record
ord-2fe1594b78be40e9aab66aa8309d44f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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