Dimethylformamide → 2-[5-[[2-(3,4-Dichlorophenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide

HRID 291052Notes

Reaction equation

HRID 291052 reaction equation
[CH3:20][N+:21]([CH3:22])=[C:23]([N:24]([CH3:25])[CH3:26])[O:27][n:28]1[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:11])[OH:12])[cH:5][cH:6][c:7]1[Cl:8].[NH2:51][c:52]1[c:53]2[cH:54][cH:55][n:56]([CH:63]([C:64](=[O:65])[NH2:66])[CH3:67])[c:57](=[O:62])[c:58]2[cH:59][cH:60][cH:61]1.[P-:13]([F:14])([F:15])([F:16])([F:17])([F:18])[F:19]>>[Cl:1][c:2]1[cH:3][c:4]([CH2:9][C:10](=[O:12])[NH:51][c:52]2[c:53]3[cH:54][cH:55][n:56]([CH:63]([C:64](=[O:65])[NH2:66])[CH3:67])[c:57](=[O:62])[c:58]3[cH:59][cH:60][cH:61]2)[cH:5][cH:6][c:7]1[Cl:8]

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 798743,4-Dichlorophenylacetic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 670877812-(5-Amino-1-oxoisoquinolin-2-yl)propanamide

Product 1

HCID 670878922-[5-[[2-(3,4-Dichlorophenyl)acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide

Sources & evidence

ORD record
ord-c468d1696f4144e9bbc5ddf6f909dfce
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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