Ethylamine → 5-Amino-N-{2-[(ethylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl}-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

반응식

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

참가 물질

반응물 3

HCID 6341Ethylamine

HCID 6342Acetonitrile

HCID 594874985-amino-1-(4-fluorophenyl)-N-{[2-(trifluoromethyl)-2-oxiranyl]methyl}-1H-pyrazole-4-carboxamide

생성물 1

HCID 591872235-Amino-N-{2-[(ethylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl}-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

출처 및 근거

ORD 기록: ord-310a0df5d13342cc91009268bd27a6b1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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