Dimethylformamide → N-[2-(1-amino-1-oxopropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

HRID 1119039Notes

Reaction equation

HRID 1119039 reaction equation
[CH3:18][N:19]([CH3:20])[CH:21]=[O:22].[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.[CH3:72][CH2:73][O:74][C:75]([CH3:76])=[O:77].[CH:63]([N:64]([CH2:65][CH3:66])[CH:67]([CH3:68])[CH3:69])([CH3:70])[CH3:71].[Cl:23][c:24]1[c:25]([C:35]([F:36])([F:37])[F:38])[cH:26][c:27]([CH:30]([C:31](=[O:32])[OH:33])[CH3:34])[cH:28][cH:29]1.[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([C:14](=[O:15])[NH2:16])[CH3:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[P-:39]([F:40])([F:41])([F:42])([F:43])([F:44])[F:45]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([C:14](=[O:15])[NH2:16])[CH3:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:31]([CH:30]([c:27]1[cH:26][c:25]([C:35]([F:36])([F:37])[F:38])[c:24]([Cl:23])[cH:29][cH:28]1)[CH3:34])=[O:32]

Participants

8

Reactant 7

HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 572006802-[4-Chloro-3-(trifluoromethyl)phenyl]propanoic acidHCID 670877812-(5-Amino-1-oxoisoquinolin-2-yl)propanamide

Product 1

HCID 67088028N-[2-(1-amino-1-oxopropan-2-yl)-1-oxoisoquinolin-5-yl]-2-[4-chloro-3-(trifluoromethyl)phenyl]propanamide

Sources & evidence

ORD record
ord-58edd609855f4f7e9510fed96e3664c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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