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Potassium Cation → 2,5-Dimethyl-4'-hexyloxybiphenyl

HRID 1535217
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반응식

HRID 1535217 반응식
[Br:1][c:2]1[c:3]([CH3:9])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[CH2:23]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[O:29][c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1.[K+:10].[K+:11].[O-:12][C:13]([O-:14])=[O:15].[OH2:116].[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([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)[cH:114][cH:115]1>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([O:29][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[cH:35][cH:34]2)[c:3]([CH3:9])[cH:4][cH:5][c:6]([CH3:8])[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 1140TolueneHCID 11121Benzene, 2-bromo-1,4-dimethyl-HCID 19660Carbonate IonHCID 36821484-Hexyloxyphenylboronic AcidHCID 178420554HCID 178420554, 화합물

생성물

1
HCID 186766192,5-Dimethyl-4'-hexyloxybiphenyl

출처 및 근거

ORD 기록
ord-2cb5c88d560643fa8114ef6d847dc523
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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