Dimethylformamide → 2-[5-[[2-[4-Chloro-2-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide

HRID 116181Notes

Reaction equation

HRID 116181 reaction equation
[CH3:23][N+:24]([CH3:25])=[C:26]([N:27]([CH3:28])[CH3:29])[O:30][n:31]1[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1.[CH3:49][N:50]([CH3:51])[CH:52]=[O:53].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[NH2:54][c:55]1[c:56]2[cH:57][cH:58][n:59]([CH:66]([C:67](=[O:68])[NH2:69])[CH3:70])[c:60](=[O:65])[c:61]2[cH:62][cH:63][cH:64]1.[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22]>>[Cl:1][c:2]1[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[c:5]([CH2:8][C:9](=[O:11])[NH:54][c:55]2[c:56]3[cH:57][cH:58][n:59]([CH:66]([C:67](=[O:68])[NH2:69])[CH3:70])[c:60](=[O:65])[c:61]3[cH:62][cH:63][cH:64]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 32777474-Chloro-2-(trifluoromethyl)phenylacetic acidHCID 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 670879572-[5-[[2-[4-Chloro-2-(trifluoromethyl)phenyl]acetyl]amino]-1-oxoisoquinolin-2-yl]propanamide

Sources & evidence

ORD record
ord-a50d589422ef4cbf8d809d0860dbb4fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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