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

HRID 214825

Reaction equation

HRID 214825 reaction equation
[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([CH2:22][S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28][cH:29][cH:30][cH:31]1.[c:32]1([CH2:33][S:34]([NH:35][CH:36]([C:37]([OH:38])=[O:39])[CH2:40][CH:41]([CH3:42])[CH3:43])(=[O:44])=[O:45])[cH:46][cH:47][cH: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

Participants

9

Reactant 8

HCID 241BenzeneHCID 702EthanolHCID 962WaterHCID 1995acetyl-DL-leucineHCID 7504BenzylamineHCID 7532Benzylsulfonic acidHCID 17355Benzyl acetoneHCID 2399152-[(Benzylsulfonyl)amino]-4-methylpentanoic acid

Product 1

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

Sources & evidence

ORD record
ord-4f4dfe3abcbd48f0924f5d2e078b4187
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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