Acetic Acid → HCID 19766727, compound

HRID 135895Notes

Reaction equation

HRID 135895 reaction equation
[C:22](=[O:23])([OH:24])[O-:25].[CH2:33]([N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:57][C:58](=[O:59])[OH:60].[CH:50]([Cl:51])([Cl:52])[Cl:53].[Cl:54][CH2:55][Cl:56].[F:3][c:4]1[c:5]([C:11]([CH2:12][c:13]2[n:14][cH:15][cH:16][n:17][cH:18]2)=[O:19])[cH:6][cH:7][c:8]([F:10])[cH:9]1.[I:20][CH3:21].[Na+:26].[Na+:2].[OH-:1].[OH2:27].[S:28]([O-:29])([OH:30])(=[O:31])=[O:32]>>[F:3][c:4]1[c:5]([C:11]([CH:12]([c:13]2[n:14][cH:15][cH:16][n:17][cH:18]2)[CH3:22])=[O:19])[cH:6][cH:7][c:8]([F:10])[cH:9]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 6212ChloroformHCID 6328Methyl iodideHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 18956535HCID 18956535, compound

Product 1

HCID 19766727HCID 19766727, compound

Sources & evidence

ORD record
ord-96ba754975ff45c2b24327e2d2da5dd3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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