Ammonium → 2-(3-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide

반응식

[NH2:1][c:2]1[cH:3][c:4]([C:19]([F:20])([F:21])[F:22])[n:5][n:6]1-[c:7]1[cH:8][c:9]([CH2:13][C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:10][cH:11][cH:12]1.[NH4+:24].[OH-:23]>>[NH2:1][c:2]1[cH:3][c:4]([C:19]([F:20])([F:21])[F:22])[n:5][n:6]1-[c:7]1[cH:8][c:9]([CH2:13][C:14](=[O:15])[NH2:24])[cH:10][cH:11][cH:12]1

참가 물질

반응물 3

HCID 223Ammonium

HCID 961Hydroxide

HCID 67272221ethyl 2-(3-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetate

생성물 1

HCID 672707762-(3-(5-amino-3-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)acetamide

출처 및 근거

ORD 기록: ord-b8ee2ab263134200801fc2d82b7d3f80
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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