Ethanol → Trifluoroacetic acid

HRID 1218439Notes

Reaction equation

HRID 1218439 reaction equation
[C:1]1([c:7]2[c:8]([NH:21][C:22](=[O:23])[c:24]3[n:25]([CH2:31][O:32][CH2:33][CH2:34][Si:35]([CH3:36])([CH3:37])[CH3:38])[cH:26][c:27]([C:29]#[N:30])[n:28]3)[cH:9][cH:10][c:11]([CH:13]3[CH2:14][CH2:15][N:16]([O:19][CH3:20])[CH2:17][CH2:18]3)[cH:12]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH3:49][CH2:50][OH:51].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([C:41](=[O:42])[OH:43])([F:44])[F:45]>>[C:1]1([c:7]2[c:8]([NH:21][C:22](=[O:23])[c:24]3[n:25][cH:26][c:27]([C:29]#[N:30])[nH:28]3)[cH:9][cH:10][c:11]([CH:13]3[CH2:14][CH2:15][N:16]([O:19][CH3:20])[CH2:17][CH2:18]3)[cH:12]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F:39][C:40]([C:41](=[O:42])[OH:43])([F:44])[F:45]

Participants

6

Reactant 4

HCID 702EthanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 59128589HCID 59128589, compound

Product 2

HCID 6422Trifluoroacetic acidHCID 11634982HCID 11634982, compound

Sources & evidence

ORD record
ord-3fcfcd25d3474a879bd78135d1b45398
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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