Sodium ion → benzoic acid N'-[2-(2'-ethyl-3,5-difluoro-biphenyl-2-yloxy)-acetyl]-N'-isopropyl-hydrazide

HRID 168749

Reaction equation

HRID 168749 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])[c:21]([F:26])[cH:22][c:23]([F:25])[cH:24]1.[C:27](=[O:28])([O-:29])[O-:30].[CH2:33]([CH3:34])[c:35]1[c:36]([B:41]([OH:42])[OH:43])[cH:37][cH:38][cH:39][cH:40]1.[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Na+:31].[Na+:32]>>[c:2]1(-[c:36]2[c:35]([CH2:33][CH3:34])[cH:40][cH:39][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])[c:21]([F:26])[cH:22][c:23]([F:25])[cH:24]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 41008622-Ethylphenylboronic Acid (contains varying amounts of Anhydride)HCID 58689916benzoic acid N'-[2-(2-bromo-4,6-difluoro-phenoxy)-acetyl]-N'-isopropyl-hydrazide

Product 1

HCID 11690987benzoic acid N'-[2-(2'-ethyl-3,5-difluoro-biphenyl-2-yloxy)-acetyl]-N'-isopropyl-hydrazide

Sources & evidence

ORD record
ord-42cd8efdee2946bbba20d4a47a8df83b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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