Chloride → Trifluoroacetic acid

HRID 2163027Notes

Reaction equation

HRID 2163027 reaction equation
[C:21]([CH3:22])(=[O:23])[N:24]1[CH2:25][CH2:26][CH:27]([C:30](=[O:31])[N:32]([CH2:33][CH2:34][CH2:35][Cl:36])[c:37]2[cH:38][c:39]([Cl:43])[cH:40][cH:41][cH:42]2)[CH2:28][CH2:29]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:54][C:55]#[N:56].[CH3:8][c:9]1[n:10][n:11][c:12]([S:14][CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[s:13]1.[Cl-:53].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[I-:51].[K+:48].[K+:49].[K+:50].[Na+:52]>>[CH3:8][c:9]1[n:10][n:11][c:12]([S:14][CH:15]2[CH2:16][CH2:17][N:18]([CH2:35][CH2:34][CH2:33][N:32]([C:30]([CH:27]3[CH2:26][CH2:25][N:24]([C:21]([CH3:22])=[O:23])[CH2:29][CH2:28]3)=[O:31])[c:37]3[cH:38][c:39]([Cl:43])[cH:40][cH:41][cH:42]3)[CH2:19][CH2:20]2)[s:13]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

11

Reactant 9

HCID 312ChlorideHCID 813Potassium Cation3×HCID 923Sodium ionHCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 30165Iodide IonHCID 18538457HCID 18538457, compoundHCID 18538476HCID 18538476, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 18538873HCID 18538873, compound

Sources & evidence

ORD record
ord-a7f0d2f997234f5a8d05a251d18313fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…