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Potassium Cation → 2,4-dimethyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole

HRID 136865
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HRID 136865 반응식
[Br:1][c:2]1[cH:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:5][c:6]2[n:7]([CH2:12][c:13]3[c:14]([CH3:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[c:8]([CH3:11])[n:9][c:10]12.[C:39](=[O:40])([O-:41])[O-:42].[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:30][B:31]1[O:32][B:33]([CH3:34])[O:35][B:36]([CH3:37])[O:38]1.[K+:43].[K+:44].[OH2:45].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:2]1([CH3:30])[cH:3][c:4]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[cH:5][c:6]2[n:7]([CH2:12][c:13]3[c:14]([CH3:23])[c:15]([C:19]([F:20])([F:21])[F:22])[cH:16][cH:17][cH:18]3)[c:8]([CH3:11])[n:9][c:10]12
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 574072TrimethylboroxineHCID 569605424-(7-bromo-2-methyl-3-(2-methyl-3-(trifluoromethyl)benzyl)-3H-benzo[d]imidazol-5-yl)morpholine
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 569608262,4-dimethyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole

출처 및 근거

ORD 기록
ord-49d8959d52104dd89ba38fa39ff54da7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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