Potassium Cation → 5-[4-[5-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylindazol-6-yl]-2-methoxypyridin-3-amine

HRID 186885Notes

Reaction equation

HRID 186885 reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:21]2[o:22][c:23]([CH2:26][N:27]3[CH2:28][CH:29]([CH3:34])[O:30][CH:31]([CH3:33])[CH2:32]3)[n:24][n:25]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[c:9]2[cH:10]1.[CH2:62]1[O:63][CH2:64][CH2:65][O:66][CH2:67]1.[CH3:35][O:36][c:37]1[n:38][cH:39][c:40]([B:44]2[O:45][C:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[O:52]2)[cH:41][c:42]1[NH2:43].[K+:59].[K+:60].[K+:61].[OH2:53].[OH2:68].[P:54]([O-:55])([O-:56])([O-:57])=[O:58]>>[c:2]1(-[c:40]2[cH:39][n:38][c:37]([O:36][CH3:35])[c:42]([NH2:43])[cH:41]2)[cH:3][c:4](-[c:21]2[o:22][c:23]([CH2:26][N:27]3[CH2:28][CH:29]([CH3:34])[O:30][CH:31]([CH3:33])[CH2:32]3)[n:24][n:25]2)[c:5]2[cH:6][n:7][n:8]([S:11](=[O:12])(=[O:13])[c:14]3[cH:15][cH:16][c:17]([CH3:20])[cH:18][cH:19]3)[c:9]2[cH:10]1

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 962Water2×HCID 1061PhosphateHCID 312751,4-DioxaneHCID 595579202-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amineHCID 771797754-[[5-[6-Bromo-1-(4-methylphenyl)sulfonylindazol-4-yl]-1,3,4-oxadiazol-2-yl]methyl]-2,6-dimethylmorpholine

Product 1

HCID 666936145-[4-[5-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,3,4-oxadiazol-2-yl]-1-(4-methylphenyl)sulfonylindazol-6-yl]-2-methoxypyridin-3-amine

Sources & evidence

ORD record
ord-fbbbbd6e676d42c19d24dbb9b57245a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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