Potassium Cation → N-(6-Chloro-2-(2-hydroxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide

HRID 1541315Notes

Reaction equation

HRID 1541315 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH2:6][n:7]1[c:8](=[O:33])[c:9]2[cH:10][cH:11][c:12]([Cl:32])[c:13]([NH:17][C:18]([CH2:19][c:20]3[cH:21][c:22]([C:27]([F:28])([F:29])[F:30])[c:23]([F:26])[cH:24][cH:25]3)=[O:31])[c:14]2[cH:15][cH:16]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][OH:41].[K+:38].[K+:39].[OH2:42]>>[OH:4][CH2:5][CH2:6][n:7]1[c:8](=[O:33])[c:9]2[cH:10][cH:11][c:12]([Cl:32])[c:13]([NH:17][C:18]([CH2:19][c:20]3[cH:21][c:22]([C:27]([F:28])([F:29])[F:30])[c:23]([F:26])[cH:24][cH:25]3)=[O:31])[c:14]2[cH:15][cH:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 595158712-(6-Chloro-5-(2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamido)-1-oxoisoquinolin-2(1H)-yl)ethyl acetate

Product 1

HCID 24760888N-(6-Chloro-2-(2-hydroxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)-2-(4-fluoro-3-(trifluoromethyl)phenyl)acetamide

Sources & evidence

ORD record
ord-fb1da955e1bf4a2a9e04d2b5a6170c47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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