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Benzene → N-benzyl-4-phenylbutan-2-amine

HRID 2313860
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HRID 2313860 반응식
[C:51]([NH:52][CH:53]([C:54]([OH:55])=[O:56])[CH2:57][CH:58]([CH3:59])[CH3:60])(=[O:61])[CH3:62].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9]([CH3:10])=[O:11].[CH3:69][CH2:70][OH:71].[NH2:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[OH2:20].[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1.[c:32]1([CH3:33])[cH:34][cH:35][c:36]([S:37]([NH:38][CH:39]([C:40]([OH:41])=[O:42])[CH2:43][CH:44]([CH3:45])[CH3:46])(=[O:47])=[O:48])[cH:49][cH:50]1.[cH:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][CH:9]([CH3:10])[NH:12][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 241BenzeneHCID 702EthanolHCID 962WaterHCID 1995acetyl-DL-leucineHCID 6101p-Toluenesulfonic acidHCID 7504BenzylamineHCID 17355Benzyl acetoneHCID 240083
4-Methyl-2-(4-methylbenzenesulfonamido)pentanoic acid

생성물 1

HCID 4362644N-benzyl-4-phenylbutan-2-amine

출처 및 근거

ORD 기록
ord-b509286479da4176a3e88c4b49c88225
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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