Methanol → Trifluoroacetic acid

HRID 303426Notes

Reaction equation

HRID 303426 reaction equation
[CH3:54][OH:55].[CH3:8][c:9]1[cH:10][c:11]([C:16]([CH:17]([C:18](=[O:19])[NH:20][CH:21]([C:22](=[O:23])[N:24]([CH:25]([CH:26]=[C:27]([C:28](=[O:29])[N:30]2[CH:31]([C:35](=[O:36])[O:37][CH3:38])[CH2:32][CH2:33][CH2:34]2)[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])[NH:48][CH3:49])([CH3:50])[CH3:51])[cH:12][c:13]([CH3:15])[cH:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[Li+:52].[OH-:53].[OH2:56]>>[CH3:8][c:9]1[cH:10][c:11]([C:16]([CH:17]([C:18](=[O:19])[NH:20][CH:21]([C:22](=[O:23])[N:24]([CH:25]([CH:26]=[C:27]([C:28](=[O:29])[N:30]2[CH:31]([C:35](=[O:36])[OH:37])[CH2:32][CH2:33][CH2:34]2)[CH3:39])[CH:40]([CH3:41])[CH3:42])[CH3:43])[C:44]([CH3:45])([CH3:46])[CH3:47])[NH:48][CH3:49])([CH3:50])[CH3:51])[cH:12][c:13]([CH3:15])[cH:14]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

Participants

8

Reactant 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6422Trifluoroacetic acidHCID 28486Lithium ionHCID 178484711HCID 178484711, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178484708HCID 178484708, compound

Sources & evidence

ORD record
ord-d4f927625b784f50bcbf69ea761f4ee8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…