Methanol → 1-(3-amino-4-methylphenyl)-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 670568701-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(4-methyl-3-nitrophenyl)urea

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 670568481-(3-amino-4-methylphenyl)-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea

출처 및 근거

ORD 기록: ord-c77c4016eeba4bbdb195e808fba32e38
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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