Dimethyl Sulfoxide → N-[4-(1-azepanyl)-3-fluorobenzyl]-2-(5-isoquinolinyl)propanamide

HRID 1563617Notes

Reaction equation

HRID 1563617 reaction equation
[CH3:46][S:47]([CH3:48])=[O:49].[N:1]1([c:8]2[c:9]([F:16])[cH:10][c:11]([CH2:12][NH2:13])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[cH:17]1[n:18][cH:19][cH:20][c:21]2[c:22]([CH:27]([C:28](=[O:29])[OH:30])[CH3:31])[cH:23][cH:24][cH:25][c:26]12.[cH:32]1[c:33]2[c:34]([c:35]([CH2:36][C:37]([OH:38])=[O:39])[cH:40][cH:41][cH:42]2)[cH:43][cH:44][n:45]1>>[N:1]1([c:8]2[c:9]([F:16])[cH:10][c:11]([CH2:12][NH:13][C:28]([CH:27]([c:22]3[c:21]4[cH:20][cH:19][n:18][cH:17][c:26]4[cH:25][cH:24][cH:23]3)[CH3:31])=[O:29])[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 679Dimethyl SulfoxideHCID 120187082-(Isoquinolin-5-YL)acetic acidHCID 223375674-(1-Azepanyl)-3-fluorobenzylamineHCID 223376382-(Isoquinolin-5-yl)propanoic acid

Product 1

HCID 22032599N-[4-(1-azepanyl)-3-fluorobenzyl]-2-(5-isoquinolinyl)propanamide

Sources & evidence

ORD record
ord-19b398bbc91b469baf04c280351817f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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