Ethanol → 2-Amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-hydroxybutyl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one

반응식

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

참가 물질

반응물 3

HCID 702Ethanol

HCID 161141522-Amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-hydroxybut-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 161141532-Amino-5-[4-(difluoromethoxy)phenyl]-5-[3-(4-hydroxybutyl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one

출처 및 근거

ORD 기록: ord-6d0f19c1d0704e79931ae0da3f71b98b
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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