Ethanol → 9-Chloro-5-{3-[2-(6-chloropyridin-3-yl)-2-hydroxyethylamino]cyclohexyl}-3-methyl-5H-isoxazolo[4,3-c]quinolin-4-one

HRID 158681Notes

Reaction equation

HRID 158681 reaction equation
[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:8]2[O:9][CH2:10]2)[cH:6][cH:7]1.[NH2:11][CH:12]1[CH2:13][CH:14]([n:18]2[c:19](=[O:33])[c:20]3[c:21]([c:22]4[c:23]([Cl:28])[cH:24][cH:25][cH:26][c:27]24)[n:29][o:30][c:31]3[CH3:32])[CH2:15][CH2:16][CH2:17]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([CH:8]([OH:9])[CH2:10][NH:11][CH:12]2[CH2:13][CH:14]([n:18]3[c:19](=[O:33])[c:20]4[c:21]([c:22]5[c:23]([Cl:28])[cH:24][cH:25][cH:26][c:27]35)[n:29][o:30][c:31]4[CH3:32])[CH2:15][CH2:16][CH2:17]2)[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 702EthanolHCID 221713512-Chloro-5-(oxiran-2-yl)pyridineHCID 227137145-(3-Amino-cyclohexyl)-9-chloro-3-methyl-5H-isoxazolo[4,3-c]quinolin-4-one

Product 1

HCID 227139489-Chloro-5-{3-[2-(6-chloropyridin-3-yl)-2-hydroxyethylamino]cyclohexyl}-3-methyl-5H-isoxazolo[4,3-c]quinolin-4-one

Sources & evidence

ORD record
ord-f52d3166324f46878dcc5dd7134a0251
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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