2,2,2-Trifluoroethanol → HCID 178468290, compound

HRID 89021Notes

Reaction equation

HRID 89021 reaction equation
[C:25](=[O:26])([O-:27])[O-:28].[CH3:31][CH2:32][O:33][C:34](=[O:35])[CH3:36].[CH:1]1([C:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][c:11](-[c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[c:12]([Br:15])[n:13][cH:14]2)([CH3:23])[OH:24])[CH2:2][CH2:3]1.[Cs+:29].[Cs+:30].[OH:37][CH2:38][C:39]([F:40])([F:41])[F:42]>>[CH:1]1([C:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[n:10][c:11](-[c:16]3[cH:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[c:12]([O:37][CH2:38][C:39]([F:40])([F:41])[F:42])[n:13][cH:14]2)([CH3:23])[OH:24])[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 64092,2,2-TrifluoroethanolHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 866169635-Bromo-6-(4-chloro-phenyl)-pyrazine-2-carboxylic acid (2-cyclopropyl-2-hydroxy-propyl)-amide

Product 1

HCID 178468290HCID 178468290, compound

Sources & evidence

ORD record
ord-669a0e66732c42fc97719dedd6e2efd1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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