Ethanamine, 2,2,2-trifluoro- → 5-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid (2,2,2-trifluoro-ethyl)-amide

반응식

[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH3:26])[n:7][c:8]([O:10][CH2:11][c:12]2[c:13](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[n:14][o:15][c:16]2[CH2:17][OH:18])[cH:9]1.[F:27][C:28]([CH2:29][NH2:30])([F:31])[F:32]>>[C:3](=[O:4])([c:5]1[n:6]([CH3:26])[n:7][c:8]([O:10][CH2:11][c:12]2[c:13](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[n:14][o:15][c:16]2[CH2:17][OH:18])[cH:9]1)[NH:30][CH2:29][C:28]([F:27])([F:31])[F:32]

참가 물질

반응물 2

HCID 9773Ethanamine, 2,2,2-trifluoro-

HCID 66643735HCID 66643735, 화합물

생성물 1

HCID 595684745-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-2-methyl-2H-pyrazole-3-carboxylic acid (2,2,2-trifluoro-ethyl)-amide

출처 및 근거

ORD 기록: ord-a11c18ac9b474bb5bc130f36175e3bc9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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