Dimethylformamide → 2-(4-chloro-3-(trifluoromethyl)phenyl)-N-(2-(2-(methylsulfonyl)ethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)acetamide

HRID 2123586Notes

Reaction equation

HRID 2123586 reaction equation
[CH3:19][N:20]([CH3:21])[CH:22]=[O:23].[CH3:46][N+:47]([CH3:48])=[C:49]([N:50]([CH3:51])[CH3:52])[O:53][n:54]1[c:55]2[n:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1.[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:24][c:25]1[c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][c:28]([CH2:31][C:32](=[O:33])[OH:34])[cH:29][cH:30]1.[F:39][P-:40]([F:41])([F:42])([F:43])([F:44])[F:45].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:13][CH2:14][S:15](=[O:16])(=[O:17])[CH3:18])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:13][CH2:14][S:15](=[O:16])(=[O:17])[CH3:18])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:32]([CH2:31][c:28]1[cH:27][c:26]([C:35]([F:36])([F:37])[F:38])[c:25]([Cl:24])[cH:30][cH:29]1)=[O:33]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 35198824-Chloro-3-(trifluoromethyl)phenylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595796075-Amino-2-(2-(methylsulfonyl)ethyl)isoquinolin-1(2H)-one

Product 1

HCID 595794682-(4-chloro-3-(trifluoromethyl)phenyl)-N-(2-(2-(methylsulfonyl)ethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl)acetamide

Sources & evidence

ORD record
ord-d0bb698fa70b406f912ff0994d59db6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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