Potassium Cation → N-[6-chloro-2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

HRID 1217355Notes

Reaction equation

HRID 1217355 reaction equation
[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13]([Cl:33])[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([F:27])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][OH:42].[K+:39].[K+:40].[OH2:43]>>[OH:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:34])[c:10]2[cH:11][cH:12][c:13]([Cl:33])[c:14]([NH:18][C:19]([CH2:20][c:21]3[cH:22][c:23]([C:28]([F:29])([F:30])[F:31])[c:24]([F:27])[cH:25][cH:26]3)=[O:32])[c:15]2[cH:16][cH:17]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 666489272-[6-Chloro-5-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propyl acetate

Product 1

HCID 66649211N-[6-chloro-2-(1-hydroxypropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

Sources & evidence

ORD record
ord-2f744f139a2e4d3fb87522bf73ebf474
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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