Methanol → tert-butyl 1-(3-amino-4-hydroxyphenyl)-3-isopropyl-1H-pyrazole-5-carboxylate

반응식

[C:28]([O:29][CH2:30][CH3:31])(=[O:32])[CH3:33].[CH3:26][OH:27].[OH:1][c:2]1[c:3]([N+:23]([O-:24])=[O:25])[cH:4][c:5](-[n:8]2[n:9][c:10]([CH:20]([CH3:21])[CH3:22])[cH:11][c:12]2[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:6][cH:7]1>>[OH:1][c:2]1[c:3]([NH2:23])[cH:4][c:5](-[n:8]2[n:9][c:10]([CH:20]([CH3:21])[CH3:22])[cH:11][c:12]2[C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[cH:6][cH:7]1

참가 물질

반응물 3

HCID 887Methanol

HCID 8857Ethyl Acetate

HCID 67253892tert-butyl 1-(4-hydroxy-3-nitrophenyl)-3-isopropyl-1H-pyrazole-5-carboxylate

생성물 1

HCID 67252991tert-butyl 1-(3-amino-4-hydroxyphenyl)-3-isopropyl-1H-pyrazole-5-carboxylate

출처 및 근거

ORD 기록: ord-cb992b8ca40e4840ab7ea45fc1c5dd67
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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