Pyridine → N-isoxazol-3-yl-4-methyl-3-[1-oxo-7-(2-piperidin-1-ylethoxy)isoquinolin-2(1H)-yl]benzamide

HRID 113136

Reaction equation

HRID 113136 reaction equation
[CH2:48]([Cl:49])[Cl:50].[CH3:1][c:2]1[c:3](-[n:11]2[c:12](=[O:30])[c:13]3[cH:14][c:15]([O:21][CH2:22][CH2:23][N:24]4[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:16][cH:17][c:18]3[cH:19][cH:20]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:36][C:37]([C:38]([Cl:39])=[O:40])=[O:41].[NH2:42][c:43]1[n:44][o:45][cH:46][cH:47]1.[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[cH:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1>>[CH3:1][c:2]1[c:3](-[n:11]2[c:12](=[O:30])[c:13]3[cH:14][c:15]([O:21][CH2:22][CH2:23][N:24]4[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]4)[cH:16][cH:17][c:18]3[cH:19][cH:20]2)[cH:4][c:5]([C:6](=[O:7])[NH:42][c:43]2[n:44][o:45][cH:46][cH:47]2)[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 1049PyridineHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 65578Oxalyl chlorideHCID 18102163-IsoxazolamineHCID 670185784-Methyl-3-[1-oxo-7-(2-piperidin-1-ylethoxy)isoquinolin-2(1H)-yl]benzoic acid

Product 1

HCID 67018575N-isoxazol-3-yl-4-methyl-3-[1-oxo-7-(2-piperidin-1-ylethoxy)isoquinolin-2(1H)-yl]benzamide

Sources & evidence

ORD record
ord-802cf199b8604537b294768e2f8ebc1c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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