Ethanol → Trifluoroacetic acid

HRID 818530Notes

Reaction equation

HRID 818530 reaction equation
[CH3:59][CH2:60][OH:61].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[H:57][H:58].[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:42][CH2:43][CH:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:41])[CH:25]([OH:40])[CH:26]([NH:28][C:29]([CH2:30][O:31][CH2:32][c:33]5[cH:34][cH:35][cH:36][cH:37][cH:38]5)=[O:39])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1.[OH-:62].[OH-:64].[Pd+2:63]>>[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[NH2:8][CH:9]1[CH2:10][N:11]([c:14]2[n:15][c:16]([NH:42][CH2:43][CH:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:17]3[n:18][cH:19][n:20]([CH:23]4[CH:24]([OH:41])[CH:25]([OH:40])[CH:26]([NH:28][C:29]([CH2:30][OH:31])=[O:39])[CH2:27]4)[c:21]3[n:22]2)[CH2:12][CH2:13]1

Participants

8

Reactant 6

HCID 702EthanolHCID 961Hydroxide2×HCID 6422Trifluoroacetic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 178418361HCID 178418361, compoundHCID 178507880HCID 178507880, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 178507881HCID 178507881, compound

Sources & evidence

ORD record
ord-7c11b234c8d746ebb06880b4599698fd
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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