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Methanol → 2-amino-5-{3-[(butylamino)methyl]phenyl}-5-[4-(difluoro-methoxy)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one

HRID 691757
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HRID 691757 반응식
[BH4-:32].[CH2:27]([CH2:28][CH2:29][CH3:30])[NH2:31].[CH3:36][OH:37].[NH2:1][C:2]1=[N:6][C:5]([c:7]2[cH:8][cH:9][c:10]([O:13][CH:14]([F:15])[F:16])[cH:11][cH:12]2)([c:17]2[cH:18][c:19]([CH:20]=[O:21])[cH:22][cH:23][cH:24]2)[C:4](=[O:25])[N:3]1[CH3:26].[Na+:33].[Na+:35].[OH-:34]>>[NH2:1][C:2]1=[N:6][C:5]([c:7]2[cH:8][cH:9][c:10]([O:13][CH:14]([F:15])[F:16])[cH:11][cH:12]2)([c:17]2[cH:18][c:19]([CH2:20][NH:31][CH2:27][CH2:28][CH2:29][CH3:30])[cH:22][cH:23][cH:24]2)[C:4](=[O:25])[N:3]1[CH3:26]
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참가 물질

7

반응물 6

HCID 887MethanolHCID 923Sodium Ion2회HCID 961HydroxideHCID 8007ButylamineHCID 28123BorohydrideHCID 16113437HCID 16113437, 화합물

생성물 1

HCID 251282652-amino-5-{3-[(butylamino)methyl]phenyl}-5-[4-(difluoro-methoxy)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one

출처 및 근거

ORD 기록
ord-aa6bc6cf868a4142a5d8ffdada27d3e8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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