6-Fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid → N-[(1-ethylpyrazol-4-yl)methyl]-6-fluoro-N-(4-isopropylphenyl)chroman-4-carboxamide

반응식

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

참가 물질

반응물 2

HCID 139537996-Fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid

HCID 21957909N-((1-Ethyl-1H-pyrazol-4-yl)methyl)-4-isopropylaniline

생성물 1

HCID 59597401N-[(1-ethylpyrazol-4-yl)methyl]-6-fluoro-N-(4-isopropylphenyl)chroman-4-carboxamide

출처 및 근거

ORD 기록: ord-7e54d913e945453c81e50ce66d81b048
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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