Sodium ion → 5-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-biphenyl-2-carboxylic acid methyl ester

HRID 179238Notes

Reaction equation

HRID 179238 reaction equation
[Br:24][CH2:25][c:26]1[c:27](-[c:34]2[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]2[Cl:40])[n:28][o:29][c:30]1[CH:31]1[CH2:32][CH2:33]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH2:16]2)[cH:9][cH:10]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[H-:42].[Na+:43]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[c:6](-[c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:7][c:8]([N:11]2[CH2:12][CH2:13][CH:14]([O:17][CH2:25][c:26]3[c:27](-[c:34]4[c:35]([Cl:41])[cH:36][cH:37][cH:38][c:39]4[Cl:40])[n:28][o:29][c:30]3[CH:31]3[CH2:32][CH2:33]3)[CH2:15][CH2:16]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 6228DimethylformamideHCID 166653HydrideHCID 593693284-(Bromomethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazoleHCID 669063285-(4-Hydroxy-piperidin-1-yl)-biphenyl-2-carboxylic acid methyl ester

Product 1

HCID 593693415-{4-[5-Cyclopropyl-3-(2,6-dichloro-phenyl)-isoxazol-4-ylmethoxy]-piperidin-1-yl}-biphenyl-2-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-f1d578a58982423ea1d4ebe0edf72258
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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