Potassium Cation → HCID 59321508, compound

HRID 693370Notes

Reaction equation

HRID 693370 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH3:17])[n:6][c:7]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[n:8][c:9]2[cH:10][cH:11]1.[CH3:78][CH2:79][O:80][C:81](=[O:82])[CH3:83].[Cl:18][c:19]1[c:20](-[c:26]2[n:27][o:28][c:29]([CH:48]([CH3:49])[CH3:50])[c:30]2[CH2:31][O:32][c:33]2[cH:34][cH:35][c:36]([B:39]3[O:40][C:41]([CH3:42])([CH3:43])[C:44]([CH3:45])([CH3:46])[O:47]3)[cH:37][cH:38]2)[c:21]([Cl:25])[cH:22][cH:23][cH:24]1.[K+:75].[K+:76].[K+:77].[O:85]1[CH2:86][CH2:87][O:88][CH2:89][CH2:90]1.[OH2:84].[P:70]([O-:71])([O-:72])([O-:73])=[O:74].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([O:32][CH2:31][c:30]3[c:26](-[c:20]4[c:19]([Cl:18])[cH:24][cH:23][cH:22][c:21]4[Cl:25])[n:27][o:28][c:29]3[CH:48]([CH3:49])[CH3:50])[cH:38][cH:37]2)[cH:3][c:4]2[c:5]([CH3:17])[n:6][c:7]([C:12](=[O:13])[O:14][CH2:15][CH3:16])[n:8][c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 8857Ethyl AcetateHCID 11776TriphenylphosphineHCID 312751,4-DioxaneHCID 59321495HCID 59321495, 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 59321508HCID 59321508, compound

Sources & evidence

ORD record
ord-366fdd8fa7c74127a46d424ad4ff9e53
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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