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Potassium Cation → 2-chloro-4'-[2-(2,6-dichloro-phenyl)-5-isopropyl-2H-pyrazol-3-ylmethoxy]-biphenyl-4-carboxylic acid

HRID 100508
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HRID 100508 반응식
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH2:7][c:8]2[cH:9][c:10]([CH:21]([CH3:22])[CH3:23])[n:11][n:12]2-[c:13]2[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]2[Cl:19])[cH:24][cH:25]1.[C:26](=[O:27])([OH:28])[c:29]1[cH:30][c:31]([Cl:38])[c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[C:39](=[O:40])([O-:41])[O-:42].[Fe+2:82].[K+:43].[K+:44].[Pd:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c-:57]2[cH:58][cH:59][cH:60][cH:61]2)[cH:62][cH:63]1.[cH:64]1[cH:65][cH:66][c:67]([P:68]([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]2)[cH:80][cH:81]1>>[c:2]1(-[c:32]2[c:31]([Cl:38])[cH:30][c:29]([C:26](=[O:27])[OH:28])[cH:34][cH:33]2)[cH:3][cH:4][c:5]([O:6][CH2:7][c:8]2[cH:9][c:10]([CH:21]([CH3:22])[CH3:23])[n:11][n:12]2-[c:13]2[c:14]([Cl:20])[cH:15][cH:16][cH:17][c:18]2[Cl:19])[cH:24][cH:25]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 23938PalladiumHCID 27284Ferrous cationHCID 17750227SimtuzumabHCID 592401025-(4-bromophenoxymethyl)-1-(2,6-dichlorophenyl)-3-isopropyl-1H-pyrazoleHCID 178420532HCID 178420532, 화합물2회

생성물 1

HCID 592401012-chloro-4'-[2-(2,6-dichloro-phenyl)-5-isopropyl-2H-pyrazol-3-ylmethoxy]-biphenyl-4-carboxylic acid

출처 및 근거

ORD 기록
ord-04be623e9fcc4d1dae70e3516bd153e2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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