Acetic Acid → Trifluoroacetic acid

HRID 147856Notes

Reaction equation

HRID 147856 reaction equation
[C:69]([BH3-:70])#[N:71].[CH2:58]([O:59][C:60]1([O:61][Si:62]([CH3:63])([CH3:64])[CH3:65])[CH2:66][CH2:67]1)[CH3:68].[CH3:73][C:74](=[O:75])[OH:76].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:19](=[O:20])[N:21]3[CH2:22][CH:23]([N:35]([C:36](=[O:37])[CH:38]4[O:39][CH2:40][CH2:41][CH2:42]4)[CH:43]4[CH2:44][CH2:45][C:46]([CH3:49])([CH3:50])[CH2:47][CH2:48]4)[CH2:24][CH:25]3[C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[CH2:10][N:11]([CH:13]3[CH2:14][CH2:17][O:16][CH2:15][CH2:18]3)[CH2:12]2)[cH:6][cH:7]1.[F:51][C:52]([C:53](=[O:54])[OH:55])([F:56])[F:57].[Na+:72]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[CH:9]([C:19](=[O:20])[N:21]3[CH2:22][CH:23]([N:35]([C:36](=[O:37])[CH:38]4[O:39][CH2:40][CH2:41][CH2:42]4)[CH:43]4[CH2:44][CH2:45][C:46]([CH3:49])([CH3:50])[CH2:47][CH2:48]4)[CH2:24][CH:25]3[C:26](=[O:27])[N:28]3[CH2:29][CH2:30][N:31]([CH3:34])[CH2:32][CH2:33]3)[CH2:10][N:11]([CH:13]3[CH2:14][CH2:18]3)[CH2:12]2)[cH:6][cH:7]1.[F:51][C:52]([C:53](=[O:54])[OH:55])([F:56])[F:57]

Participants

8

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 2734686(1-Ethoxycyclopropoxy)trimethylsilaneHCID 178481047HCID 178481047, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178481046HCID 178481046, compound

Sources & evidence

ORD record
ord-8e8a3bc85e514f3da511698b879667a7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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