1H-Imidazole, 2-(1-methylethyl)- → {8-Chloro-2-difluoromethoxy-3-[4-(2-isopropylimidazol-1-yl)benzyl]-4-methylquinolin-5-yloxy}acetic acid tert-butyl ester

HRID 178506

반응식

HRID 178506 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[c:10]2[c:11]([CH3:40])[c:12]([CH2:24][c:25]3[cH:26][cH:27][c:28]([B:31]4[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]4)[cH:29][cH:30]3)[c:13]([O:20][CH:21]([F:22])[F:23])[n:14][c:15]2[c:16]([Cl:19])[cH:17][cH:18]1)=[O:41].[CH:42]([CH3:43])([CH3:44])[c:45]1[nH:46][cH:47][cH:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[c:10]2[c:11]([CH3:40])[c:12]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[n:46]4[c:45]([CH:42]([CH3:43])[CH3:44])[n:49][cH:48][cH:47]4)[cH:29][cH:30]3)[c:13]([O:20][CH:21]([F:22])[F:23])[n:14][c:15]2[c:16]([Cl:19])[cH:17][cH:18]1)=[O:41]

참가 물질

3

반응물 2

HCID 1234571H-Imidazole, 2-(1-methylethyl)-HCID 67458465{8-Chloro-2-difluoromethoxy-4-methyl-3-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)benzyl]quinolin-5-yloxy}acetic acid tert-butyl ester

생성물 1

HCID 67456320{8-Chloro-2-difluoromethoxy-3-[4-(2-isopropylimidazol-1-yl)benzyl]-4-methylquinolin-5-yloxy}acetic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-67595da39ab342989be5876f41d9c2a9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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