Potassium Cation → 4-(Triazol-1-yl)-1-[4-[[2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-one

HRID 159729노트

반응식

HRID 159729 반응식
[CH3:18][C:19](=[O:20])[CH2:21][CH3:22].[Cl:23][CH2:24][c:25]1[n:26][c:27]([CH:30]=[CH:31][c:32]2[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]2)[o:28][cH:29]1.[I-:44].[K+:43].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][CH2:10][CH2:11][n:12]2[n:13][n:14][cH:15][cH:16]2)=[O:17])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][CH2:10][CH2:11][n:12]2[n:13][n:14][cH:15][cH:16]2)=[O:17])[cH:6][cH:7]1)[CH2:24][c:25]1[n:26][c:27]([CH:30]=[CH:31][c:32]2[cH:33][cH:34][c:35]([O:38][C:39]([F:40])([F:41])[F:42])[cH:36][cH:37]2)[o:28][cH:29]1

참가 물질

6

반응물 5

HCID 813Potassium CationHCID 6569Methyl Ethyl KetoneHCID 30165Iodide IonHCID 587108001-(4-Hydroxy-phenyl)-4-[1,2,3]triazol-1-yl-butan-1-oneHCID 690715774-Chloromethyl-2-[2-(4-trifluoromethoxy-phenyl)-vinyl]-oxazole

생성물 1

HCID 693461244-(Triazol-1-yl)-1-[4-[[2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1,3-oxazol-4-yl]methoxy]phenyl]butan-1-one

출처 및 근거

ORD 기록
ord-8197448b1f8849748ae24c990c9cf294
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

반응 노트

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