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Potassium Cation → HCID 10110424, 화합물

HRID 100479
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HRID 100479 반응식
[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][n:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]2.[CH3:47][N:48]([CH3:49])[C:50](=[O:51])[CH3:52].[F:23][c:24]1[c:25](-[c:39]2[c:40]([C:45]#[N:46])[cH:41][cH:42][cH:43][cH:44]2)[cH:26][c:27]([B:30]2[O:31][C:32]([CH3:33])([CH3:34])[C:35]([CH3:36])([CH3:37])[O:38]2)[cH:28][cH:29]1.[K+:20].[K+:21].[K+:22].[P:15]([O-:16])([O-:17])([O-:18])=[O:19].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:27]2[cH:26][c:25](-[c:39]3[c:40]([C:45]#[N:46])[cH:41][cH:42][cH:43][cH:44]3)[c:24]([F:23])[cH:29][cH:28]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][n:8][c:9]([C:11]([F:12])([F:13])[F:14])[cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 813Potassium Cation3회HCID 1061PhosphateHCID 31374DimethylacetamideHCID 117716472′-Fluoro-5′-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1′-biphenyl]-2-carbonitrileHCID 22385760HCID 22385760, 화합물HCID 178420554HCID 178420554, 화합물

생성물 1

HCID 10110424HCID 10110424, 화합물

출처 및 근거

ORD 기록
ord-f51cbc4b98a44b52bed6124810cf7f1e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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