Ethanol → Trifluoroacetic acid

HRID 286024Notes

Reaction equation

HRID 286024 reaction equation
[C:1]1([c:7]2[c:8]([NH:20][C:21](=[O:22])[c:23]3[n:24]([CH2:30][O:31][CH2:32][CH2:33][Si:34]([CH3:35])([CH3:36])[CH3:37])[cH:25][c:26]([C:28]#[N:29])[n:27]3)[cH:9][cH:10][c:11]([CH:13]3[CH2:14][NH:15][C:16](=[O:19])[NH:17][CH2:18]3)[cH:12]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[CH3:38][CH2:39][OH:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([C:43](=[O:44])[OH:45])([F:46])[F:47]>>[C:1]1([c:7]2[c:8]([NH:20][C:21](=[O:22])[c:23]3[nH:24][cH:25][c:26]([C:28]#[N:29])[n:27]3)[cH:9][cH:10][c:11]([CH:13]3[CH2:14][NH:15][C:16](=[O:19])[NH:17][CH2:18]3)[cH:12]2)=[CH:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[F:41][C:42]([C:43](=[O:44])[OH:45])([F:46])[F:47]

Participants

6

Reactant 4

HCID 702EthanolHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 597711634-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(2-oxo-hexahydro-pyrimidin-5-yl)-phenyl]-amide

Product 2

HCID 6422Trifluoroacetic acidHCID 178510417HCID 178510417, compound

Sources & evidence

ORD record
ord-09ec9df58c7c491cacbee2d284142f45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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