Methanol → Trifluoroacetic acid

HRID 2128405Notes

Reaction equation

HRID 2128405 reaction equation
[CH2:8]([CH3:9])[O:10][C:11](=[O:12])[c:13]1[cH:14][cH:15][c:16]([N:19]2[CH2:20][CH2:21][CH:22]([NH:25][C:26](=[O:27])[NH:28][CH:29]3[CH2:30][N:31]([c:34]4[n:35][c:36]([NH:57][CH2:58][CH:59]([c:60]5[cH:61][cH:62][cH:63][cH:64][cH:65]5)[c:66]5[cH:67][cH:68][cH:69][cH:70][cH:71]5)[c:37]5[n:38][cH:39][n:40]([CH:43]6[CH:44]([OH:56])[CH:45]([OH:55])[CH:46]([n:48]7[n:49][cH:50][c:51]([CH2:53][OH:54])[cH:52]7)[CH2:47]6)[c:41]5[n:42]4)[CH2:32][CH2:33]3)[CH2:23][CH2:24]2)[n:17][cH:18]1.[CH3:74][OH:75].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Li+:72].[OH-:73]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[O:10]=[C:11]([OH:12])[c:13]1[cH:14][cH:15][c:16]([N:19]2[CH2:20][CH2:21][CH:22]([NH:25][C:26](=[O:27])[NH:28][CH:29]3[CH2:30][N:31]([c:34]4[n:35][c:36]([NH:57][CH2:58][CH:59]([c:60]5[cH:61][cH:62][cH:63][cH:64][cH:65]5)[c:66]5[cH:67][cH:68][cH:69][cH:70][cH:71]5)[c:37]5[n:38][cH:39][n:40]([CH:43]6[CH:44]([OH:56])[CH:45]([OH:55])[CH:46]([n:48]7[n:49][cH:50][c:51]([CH2:53][OH:54])[cH:52]7)[CH2:47]6)[c:41]5[n:42]4)[CH2:32][CH2:33]3)[CH2:23][CH2:24]2)[n:17][cH:18]1

Participants

7

Reactant 5

HCID 887MethanolHCID 961HydroxideHCID 6422Trifluoroacetic acidHCID 28486Lithium ionHCID 178468975HCID 178468975, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178522287HCID 178522287, compound

Sources & evidence

ORD record
ord-9d5f1ef7e95442eb97fce45b680f8d2c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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