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

HRID 1575863Notes

Reaction equation

HRID 1575863 reaction equation
[CH3:45][S:46]([CH3:47])=[O:48].[N:1]1([c:8]2[cH:9][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:16]1[n:17][cH:18][cH:19][c:20]2[c:21]([CH:26]([C:27](=[O:28])[OH:29])[CH3:30])[cH:22][cH:23][cH:24][c:25]12.[cH:31]1[c:32]2[c:33]([c:34]([CH2:35][C:36]([OH:37])=[O:38])[cH:39][cH:40][cH:41]2)[cH:42][cH:43][n:44]1>>[N:1]1([c:8]2[cH:9][cH:10][c:11]([CH2:12][NH:13][C:27]([CH:26]([c:21]3[c:20]4[cH:19][cH:18][n:17][cH:16][c:25]4[cH:24][cH:23][cH:22]3)[CH3:30])=[O:28])[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 22337561[4-(Azepan-1-YL)phenyl]methanamineHCID 223376382-(Isoquinolin-5-yl)propanoic acid

Product 1

HCID 11749546N-[4-(1-azepanyl)benzyl]-2-(5-isoquinolinyl)propanamide

Sources & evidence

ORD record
ord-1ca2d44367e846fca4a4ac6e21bf716c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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