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Potassium Cation → 5-Cyclopropyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-3-(2-trifluoromethoxy-phenyl)-isoxazole

HRID 107350
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HRID 107350 반응식
[Br:1][CH2:2][c:3]1[c:4](-[c:11]2[c:12]([O:17][C:18]([F:19])([F:20])[F:21])[cH:13][cH:14][cH:15][cH:16]2)[n:5][o:6][c:7]1[CH:8]1[CH2:9][CH2:10]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:22][c:23]1[cH:24][c:25]([OH:38])[cH:26][cH:27][c:28]1[B:29]1[O:30][C:31]([CH3:36])([CH3:37])[C:32]([CH3:34])([CH3:35])[O:33]1.[CH3:45][C:46]#[N:47].[K+:43].[K+:44]>>[CH2:2]([c:3]1[c:4](-[c:11]2[c:12]([O:17][C:18]([F:19])([F:20])[F:21])[cH:13][cH:14][cH:15][cH:16]2)[n:5][o:6][c:7]1[CH:8]1[CH2:9][CH2:10]1)[O:38][c:25]1[cH:24][c:23]([CH3:22])[c:28]([B:29]2[O:30][C:31]([CH3:36])([CH3:37])[C:32]([CH3:34])([CH3:35])[O:33]2)[cH:27][cH:26]1
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참가 물질

6

반응물 5

HCID 813Potassium Cation2회HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 574432723-Methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 669060924-(Bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole

생성물 1

HCID 67272361
5-Cyclopropyl-4-[3-methyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenoxymethyl]-3-(2-trifluoromethoxy-phenyl)-isoxazole

출처 및 근거

ORD 기록
ord-82b9dec0af14469fa83a7c0d7e346a94
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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