Sodium ion → 4-(2-methoxy-ethoxy)-benzoic acid N'-[2-(5-fluoro-2'-trifluoromethoxy-biphenyl-2-yloxy)-acetyl]-N'-isopropyl hydrazide

HRID 1546477Notes

Reaction equation

HRID 1546477 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][c:14]([O:17][CH2:18][CH2:19][O:20][CH3:21])[cH:15][cH:16]2)=[O:22])[CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][c:28]([F:30])[cH:29]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[F:37][C:38]([O:39][c:40]1[c:41]([B:46]([OH:47])[OH:48])[cH:42][cH:43][cH:44][cH:45]1)([F:49])[F:50].[Na+:35].[Na+:36]>>[c:2]1(-[c:41]2[c:40]([O:39][C:38]([F:37])([F:49])[F:50])[cH:45][cH:44][cH:43][cH:42]2)[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][O:20][CH3:21])[cH:15][cH:16]2)=[O:22])[CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][c:28]([F:30])[cH:29]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 27772042-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)HCID 586899194-(2-methoxy-ethoxy)-benzoic acid N'-[2-(2-bromo-4-fluoro-phenoxy)-acetyl]-N'-isopropyl-hydrazide

Product 1

HCID 117210574-(2-methoxy-ethoxy)-benzoic acid N'-[2-(5-fluoro-2'-trifluoromethoxy-biphenyl-2-yloxy)-acetyl]-N'-isopropyl hydrazide

Sources & evidence

ORD record
ord-6d670aa2376e467ca062f45746aafde9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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