Ethanol → 7-(2,3-dihydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

HRID 2124720Notes

Reaction equation

HRID 2124720 reaction equation
[CH3:28][CH2:29][OH:30].[CH:1]1([CH2:2][OH:3])[CH2:4][O:5]1.[NH2:6][c:7]1[cH:8][cH:9][c:10]2[cH:11][c:12](-[c:18]3[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]3)[nH:13][c:14](=[O:17])[c:15]2[cH:16]1>>[CH:1]([CH2:2][OH:3])([CH2:4][NH:6][c:7]1[cH:8][cH:9][c:10]2[cH:11][c:12](-[c:18]3[c:19]([C:24]([F:25])([F:26])[F:27])[cH:20][cH:21][cH:22][cH:23]3)[nH:13][c:14](=[O:17])[c:15]2[cH:16]1)[OH:5]

Participants

4

Reactant 3

HCID 702EthanolHCID 11164GlycidolHCID 231567387-amino-3-(2-trifluoromethylphenyl)-2H-isoquinolin-1-one

Product 1

HCID 231568437-(2,3-dihydroxypropylamino)-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-1-one

Sources & evidence

ORD record
ord-5639b94ba6234ce98e7b381f9c973f1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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