Potassium Cation → HCID 59321556, compound

HRID 99219Notes

Reaction equation

HRID 99219 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7][c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:9]2[cH:10][cH:11]1.[CH3:77][CH2:78][O:79][C:80](=[O:81])[CH3:82].[Cl:17][c:18]1[c:19](-[c:25]2[n:26][o:27][c:28]([CH:47]([CH3:48])[CH3:49])[c:29]2[CH2:30][O:31][c:32]2[cH:33][cH:34][c:35]([B:38]3[O:39][C:40]([CH3:41])([CH3:42])[C:43]([CH3:44])([CH3:45])[O:46]3)[cH:36][cH:37]2)[c:20]([Cl:24])[cH:21][cH:22][cH:23]1.[K+:74].[K+:75].[K+:76].[O:84]1[CH2:85][CH2:86][O:87][CH2:88][CH2:89]1.[OH2:83].[P:69]([O-:70])([O-:71])([O-:72])=[O:73].[c:50]1([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([O:31][CH2:30][c:29]3[c:25](-[c:19]4[c:18]([Cl:17])[cH:23][cH:22][cH:21][c:20]4[Cl:24])[n:26][o:27][c:28]3[CH:47]([CH3:48])[CH3:49])[cH:37][cH:36]2)[cH:3][c:4]2[cH:5][cH:6][n:7][c:8]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 312751,4-DioxaneHCID 59321519HCID 59321519, compoundHCID 597090393-(2,6-Dichlorophenyl)-5-(1-methylethyl)-4-({[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxy}methyl)isoxazole

Product 1

HCID 59321556HCID 59321556, compound

Sources & evidence

ORD record
ord-f3a458b53c464bceb8b3924fa5d4ba5c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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