Potassium Cation → HCID 76167297, compound

HRID 1135088Notes

Reaction equation

HRID 1135088 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:11]([CH3:12])[c:13]1[c:14]([Cl:22])[c:15]([F:21])[cH:16][cH:17][c:18]1[O:19][CH3:20].[CH3:23][c:24]1[n:25][n:26]([CH2:39][C:40]([CH3:41])([OH:42])[CH3:43])[c:27]([CH3:38])[c:28]1[B:29]1[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]1.[K+:44].[K+:45].[O-:46][C:47]([O-:48])=[O:49].[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH2:133].[cH:56]1[cH:57][cH:58][c:59]([P:60]([Pd:61]([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[cH:131][cH:132]1>>[c:2]1(-[c:28]2[c:24]([CH3:23])[n:25][n:26]([CH2:39][C:40]([CH3:41])([OH:42])[CH3:43])[c:27]2[CH3:38])[cH:3][c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[CH:11]([CH3:12])[c:13]1[c:14]([Cl:22])[c:15]([F:21])[cH:16][cH:17][c:18]1[O:19][CH3:20]

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 670045715-bromo-3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridineHCID 67004698α,α,3,5-Tetramethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-ethanolHCID 178420554HCID 178420554, compound

Product 1

HCID 76167297HCID 76167297, compound

Sources & evidence

ORD record
ord-99deb4513f39405fb5a55a786f298574
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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