Dimethylformamide → N-[2-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]-2-(4-chlorophenyl)propanamide

HRID 696919Notes

Reaction equation

HRID 696919 reaction equation
[CH3:24][N:25]([CH3:26])[CH:27]=[O:28].[CH3:45][N+:46]([CH3:47])=[C:48]([N:49]([CH3:50])[CH3:51])[O:52][n:53]1[c:54]2[n:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[CH:29]([N:30]([CH2:31][CH3:32])[CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cl:62][c:63]1[cH:64][cH:65][c:66]([CH:69]([C:70](=[O:71])[OH:72])[CH3:73])[cH:67][cH:68]1.[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][c:20]([Cl:23])[cH:21][cH:22]3)[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44]>>[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][c:20]([Cl:23])[cH:21][cH:22]3)[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:70]([CH:69]([c:66]1[cH:65][cH:64][c:63]([Cl:62])[cH:68][cH:67]1)[CH3:73])=[O:71]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 102525DL-2-(4-chlorophenyl)propanoic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595158802-(5-Amino-1-oxoisoquinolin-2(1H)-yl)-2-(4-chlorophenyl)acetamide

Product 1

HCID 67087995N-[2-[2-amino-1-(4-chlorophenyl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]-2-(4-chlorophenyl)propanamide

Sources & evidence

ORD record
ord-2f477100f6414cd7a56686a4295e2f3e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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