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Potassium Cation → 4-(1-Methyl-1H-pyrazol-4-ylmethyl)-3'-(3-trifluoromethylphenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

HRID 824006
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HRID 824006 반응식
[C:40](=[O:41])([O-:42])[O-:43].[CH3:34][N:35]([CH3:36])[C:37](=[O:38])[CH3:39].[Cl:14][c:15]1[c:16]([N:21]2[CH2:22][CH2:23][N:24]([CH2:27][c:28]3[cH:29][n:30][n:31]([CH3:33])[cH:32]3)[CH2:25][CH2:26]2)[n:17][cH:18][cH:19][n:20]1.[F:1][C:2]([c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][cH:7][cH:8]1)([F:12])[F:13].[K+:44].[K+:45].[OH2:123].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:15]2[c:16]([N:21]3[CH2:22][CH2:23][N:24]([CH2:27][c:28]4[cH:29][n:30][n:31]([CH3:33])[cH:32]4)[CH2:25][CH2:26]3)[n:17][cH:18][cH:19][n:20]2)[cH:6][cH:7][cH:8]1)([F:12])[F:13]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 27343883-(Trifluoromethyl)phenylboronic acidHCID 866416573'-Chloro-4-(1-methyl-1H-pyrazol-4-ylmethyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 593217924-(1-Methyl-1H-pyrazol-4-ylmethyl)-3'-(3-trifluoromethylphenyl)-3,4,5,6-tetrahydro-2H-[1,2']bipyrazine

출처 및 근거

ORD 기록
ord-b2322ff1c33f4af2ac642de4c9adc40b
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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