Sodium ion → benzoic acid N'-[2-(5,4'-difluoro-biphenyl-2-yloxy)-acetyl]-N'-isopropyl-hydrazide

HRID 160450

Reaction equation

HRID 160450 reaction equation
[Br:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]([NH:9][C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:42][O:43][CH2:44][CH2:45][O:46][CH3:47].[F:32][c:33]1[cH:34][cH:35][c:36]([B:39]([OH:40])[OH:41])[cH:37][cH:38]1.[Na+:30].[Na+:31]>>[c:2]1(-[c:36]2[cH:35][cH:34][c:33]([F:32])[cH:38][cH:37]2)[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]([NH:9][C:10]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:17])[CH:18]([CH3:19])[CH3:20])[cH:21][cH:22][c:23]([F:25])[cH:24]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 2856454-Fluorophenylboronic acidHCID 58689907benzoic acid N'-[2-(2-bromo-4-fluoro-phenoxy)-acetyl]-N'-isopropyl-hydrazide

Product 1

HCID 11539098benzoic acid N'-[2-(5,4'-difluoro-biphenyl-2-yloxy)-acetyl]-N'-isopropyl-hydrazide

Sources & evidence

ORD record
ord-461aeef977bd42cfb8b0e58b8b5069ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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