Dimethylformamide → N-[2-(2-amino-2-oxo-1-phenylethyl)-1-oxoisoquinolin-5-yl]-2-(3,4-dichlorophenyl)propanamide

HRID 1209477Notes

Reaction equation

HRID 1209477 reaction equation
[CH3:23][N:24]([CH3:25])[CH:26]=[O:27].[CH3:44][N+:45]([CH3:46])=[C:47]([N:48]([CH3:49])[CH3:50])[O:51][n:52]1[c:53]2[n:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1.[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:61][c:62]1[cH:63][c:64]([CH:69]([C:70](=[O:71])[OH:72])[CH3:73])[cH:65][cH:66][c:67]1[Cl:68].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([C:14](=[O:15])[NH2:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:13]([C:14](=[O:15])[NH2:16])[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:70]([CH:69]([c:64]1[cH:63][c:62]([Cl:61])[c:67]([Cl:68])[cH:66][cH:65]1)[CH3:73])=[O:71]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 217147603,4-Dichloro-alpha-methylbenzeneacetic acidHCID 670877892-(5-Amino-1-oxoisoquinolin-2-yl)-2-phenylacetamide

Product 1

HCID 178460011N-[2-(2-amino-2-oxo-1-phenylethyl)-1-oxoisoquinolin-5-yl]-2-(3,4-dichlorophenyl)propanamide

Sources & evidence

ORD record
ord-327c3e999b86459ca22d24c372e11b07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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