Sodium ion → thiophene-2-carboxylic acid N'-[2-(5-fluoro-2'-trifluoromethoxy-biphenyl-2-yloxy)-acetyl]-N'-isopropyl hydrazide

HRID 2317446Notes

Reaction equation

HRID 2317446 reaction equation
[Br:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]([NH:9][C:10](=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH:17]([CH3:18])[CH3:19])[cH:20][cH:21][c:22]([F:24])[cH:23]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[F:31][C:32]([O:33][c:34]1[c:35]([B:40]([OH:41])[OH:42])[cH:36][cH:37][cH:38][cH:39]1)([F:43])[F:44].[Na+:29].[Na+:30]>>[c:2]1(-[c:35]2[c:34]([O:33][C:32]([F:31])([F:43])[F:44])[cH:39][cH:38][cH:37][cH:36]2)[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]([NH:9][C:10](=[O:11])[c:12]2[s:13][cH:14][cH:15][cH:16]2)[CH:17]([CH3:18])[CH3:19])[cH:20][cH:21][c:22]([F:24])[cH:23]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27772042-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)HCID 58689899thiophene-2-carboxylic acid N'-[2(2-bromo-4-fluoro-phenoxy)-acetyl]-N'-isopropyl-hydrazide

Product 1

HCID 11504202thiophene-2-carboxylic acid N'-[2-(5-fluoro-2'-trifluoromethoxy-biphenyl-2-yloxy)-acetyl]-N'-isopropyl hydrazide

Sources & evidence

ORD record
ord-1fb0fa4a8e1c458ebbbd014a9819610d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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