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Beta-Alanine → 3-{4-[1-(2-Trifluoromethyl-biphenyl-4-ylmethoxyimino)-ethyl]-benzylamino}-propionic acid

HRID 665809
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반응식

HRID 665809 반응식
[BH4-:43].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[F:1][C:2]([c:3]1[c:4](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:5][cH:6][c:7]([CH2:9][O:10][N:11]=[C:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([CH2:20][OH:21])[cH:18][cH:19]2)[cH:8]1)([F:28])[F:29].[NH2:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35].[Na+:44].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1.[O:51]=[Mn:52]=[O:53]>>[F:1][C:2]([c:3]1[c:4](-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:5][cH:6][c:7]([CH2:9][O:10][N:11]=[C:12]([CH3:13])[c:14]2[cH:15][cH:16][c:17]([CH2:20][NH:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:18][cH:19]2)[cH:8]1)([F:28])[F:29]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 239Beta-AlanineHCID 923Sodium IonHCID 8471TriethylamineHCID 14801Manganese dioxideHCID 28123BorohydrideHCID 312751,4-DioxaneHCID 865959961-(4-hydroxymethyl-phenyl)-ethanone O-(2-trifluoromethyl-biphenyl-4-ylmethyl)-oxime

생성물 1

HCID 729544163-{4-[1-(2-Trifluoromethyl-biphenyl-4-ylmethoxyimino)-ethyl]-benzylamino}-propionic acid

출처 및 근거

ORD 기록
ord-00f8102578754f60bf402258db095fb8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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