Ethanol → 1-[2-(4-aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(pyridin-4-yloxy)phenyl]urea

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:19][C:20](=[O:21])[NH:22][c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[cH:27][cH:28]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([N+:16]([O-:17])=[O:18])[cH:14][cH:15]2)[n:9]1.[CH3:38][CH2:39][OH:40].[H:36][H:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:19][C:20](=[O:21])[NH:22][c:23]2[cH:24][cH:25][c:26]([O:29][c:30]3[cH:31][cH:32][n:33][cH:34][cH:35]3)[cH:27][cH:28]2)[n:8](-[c:10]2[cH:11][cH:12][c:13]([NH2:16])[cH:14][cH:15]2)[n:9]1

참가 물질

반응물 3

HCID 702Ethanol

HCID 536301901-[5-tert-butyl-2-(4-nitrophenyl)-2H-pyrazol-3-yl]-3-[4-(pyridin-4-yloxy)phenyl]urea

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 536301891-[2-(4-aminophenyl)-5-tert-butyl-2H-pyrazol-3-yl]-3-[4-(pyridin-4-yloxy)phenyl]urea

출처 및 근거

ORD 기록: ord-9056720b8e5c43dca3700b5b9dc9dede
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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