Bicarbonate Ion → Trifluoroacetic acid

HRID 320896Notes

Reaction equation

HRID 320896 reaction equation
[C:45]([O-:46])(=[O:47])[OH:48].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[Cl:61][CH2:62][Cl:63].[Cl:8][c:9]1[cH:10][c:11]([C:15]([C:16](=[O:17])[N:18]2[CH:19]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[c:25](-[n:30]4[n:31][n:32][n:33][cH:34]4)[cH:26][cH:27][cH:28][cH:29]3)[CH2:35][CH2:36][CH2:37]2)([c:38]2[cH:39][n:40][cH:41][cH:42][cH:43]2)[OH:44])[cH:12][cH:13][cH:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Na+:49].[OH:50][O:51][C:52]([c:53]1[cH:54][c:55]([Cl:56])[cH:57][cH:58][cH:59]1)=[O:60]>>[Cl:8][c:9]1[cH:10][c:11]([C:15]([C:16](=[O:17])[N:18]2[CH:19]([C:20](=[O:21])[NH:22][CH2:23][c:24]3[c:25](-[n:30]4[n:31][n:32][n:33][cH:34]4)[cH:26][cH:27][cH:28][cH:29]3)[CH2:35][CH2:36][CH2:37]2)([c:38]2[cH:39][n+:40]([O-:46])[cH:41][cH:42][cH:43]2)[OH:44])[cH:12][cH:13][cH:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

9

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 70297m-Chloroperbenzoic acidHCID 21866279HCID 21866279, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 21866274HCID 21866274, compound

Sources & evidence

ORD record
ord-22d4692674f0478da65ea29687740871
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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