Acetate → N-[1-[2-(4-methoxyanilino)ethylamino]-1-oxo-3-(4-phenoxyphenyl)propan-2-yl]-3-methylbenzamide

HRID 90488

Reaction equation

HRID 90488 reaction equation
[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[Cl:43][CH2:44][Cl:45].[Cu+2:50].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10]([NH:11][CH2:12][CH2:13][NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)=[O:23])[NH:24][C:25]([c:26]2[cH:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]2)=[O:33])[cH:6][cH:7]1.[c:34]1([B:40]([OH:41])[OH:42])[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10]([NH:11][CH2:12][CH2:13][NH:14][c:15]2[cH:16][cH:17][c:18]([O:21][CH3:22])[cH:19][cH:20]2)=[O:23])[NH:24][C:25]([c:26]2[cH:27][c:28]([CH3:32])[cH:29][cH:30][cH:31]2)=[O:33])[cH:6][cH:7]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1

Participants

6

Reactant 5

HCID 175Acetate2×HCID 6344DichloromethaneHCID 27099Cupric cationHCID 66827Phenylboronic AcidHCID 21055509N-[3-(4-hydroxyphenyl)-1-[2-(4-methoxyanilino)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

Product 1

HCID 21950683N-[1-[2-(4-methoxyanilino)ethylamino]-1-oxo-3-(4-phenoxyphenyl)propan-2-yl]-3-methylbenzamide

Sources & evidence

ORD record
ord-f152d248d3af4689ba4d84c9b07b4825
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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