Dimethylformamide → 2-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl acetate

HRID 2142225Notes

Reaction equation

HRID 2142225 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:20])[c:10]2[cH:11][cH:12][c:13]([CH3:19])[c:14]([NH2:18])[c:15]2[cH:16][cH:17]1.[CH3:43][N+:44]([CH3:45])=[C:46]([N:47]([CH3:48])[CH3:49])[O:50][n:51]1[c:52]2[n:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:60]([N:61]([CH2:62][CH3:63])[CH:64]([CH3:65])[CH3:66])([CH3:67])[CH3:68].[F:21][c:22]1[cH:23][c:24]([CH2:32][C:33](=[O:34])[OH:35])[cH:25][cH:26][c:27]1[C:28]([F:29])([F:30])[F:31].[P-:36]([F:37])([F:38])([F:39])([F:40])([F:41])[F:42]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH3:7])[n:8]1[c:9](=[O:20])[c:10]2[cH:11][cH:12][c:13]([CH3:19])[c:14]([NH:18][C:33]([CH2:32][c:24]3[cH:23][c:22]([F:21])[c:27]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:25]3)=[O:34])[c:15]2[cH:16][cH:17]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 27375913-Fluoro-4-(trifluoromethyl)phenylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 666493572-(5-Amino-6-methyl-1-oxoisoquinolin-2-yl)propyl acetate

Product 1

HCID 666492102-[5-[[2-[3-Fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-6-methyl-1-oxoisoquinolin-2-yl]propyl acetate

Sources & evidence

ORD record
ord-b0ac55d51fe8444e9239d9755675a960
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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