Potassium Cation → HCID 58494060, compound

HRID 291164Notes

Reaction equation

HRID 291164 reaction equation
[Br:1][c:2]1[n:3][s:4][c:5](-[c:7]2[cH:8][c:9]([Cl:17])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:6]1.[CH2:18]([CH3:19])[c:20]1[c:21]([CH:22]=[O:23])[cH:24][cH:25][cH:26][c:27]1[B:28]1[O:29][C:30]([CH3:31])([CH3:32])[C:33]([CH3:34])([CH3:35])[O:36]1.[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[K+:42].[K+:43].[K+:44].[OH2:50].[P:37]([O-:38])([O-:39])([O-:40])=[O:41].[cH:57]1[cH:58][cH:59][c:60]([P:61]([Pd:62]([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[cH:132][cH:133]1>>[c:2]1(-[c:27]2[c:20]([CH2:18][CH3:19])[c:21]([CH:22]=[O:23])[cH:24][cH:25][cH:26]2)[n:3][s:4][c:5](-[c:7]2[cH:8][c:9]([Cl:17])[c:10]([O:13][CH:14]([CH3:15])[CH3:16])[cH:11][cH:12]2)[n:6]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 584940852-Ethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehydeHCID 584940863-Bromo-5-{3-chloro-4-[(1-methylethyl)oxy]phenyl}-1,2,4-thiadiazoleHCID 178420554HCID 178420554, compound

Product 1

HCID 58494060HCID 58494060, compound

Sources & evidence

ORD record
ord-742119f50fad4562b7b7f04cf633edea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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