Sodium ion → 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(5-methyl-6-(4-(2,2,2-trifluoroacetyl)phenyl)-pyridin-2-yl)cyclopropanecarboxamide

HRID 101755Notes

Reaction equation

HRID 101755 reaction equation
[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[Cl:1][c:2]1[c:3]([CH3:25])[cH:4][cH:5][c:6]([NH:8][C:9](=[O:10])[C:11]2([c:14]3[cH:15][c:16]4[c:17]([cH:23][cH:24]3)[O:18][C:19]([F:21])([F:22])[O:20]4)[CH2:12][CH2:13]2)[n:7]1.[F:26][C:27]([C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]2[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]2)[cH:34][cH:35]1)([F:45])[F:46].[Na+:47].[Na+:48].[O-:49][C:50](=[O:51])[O-:52]>>[c:2]1(-[c:33]2[cH:32][cH:31][c:30]([C:28]([C:27]([F:26])([F:45])[F:46])=[O:29])[cH:35][cH:34]2)[c:3]([CH3:25])[cH:4][cH:5][c:6]([NH:8][C:9](=[O:10])[C:11]2([c:14]3[cH:15][c:16]4[c:17]([cH:23][cH:24]3)[O:18][C:19]([F:21])([F:22])[O:20]4)[CH2:12][CH2:13]2)[n:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 569730602,2,2-Trifluoro-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethan-1-oneHCID 59165796N-(6-chloro-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide

Product 1

HCID 591659471-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)-N-(5-methyl-6-(4-(2,2,2-trifluoroacetyl)phenyl)-pyridin-2-yl)cyclopropanecarboxamide

Sources & evidence

ORD record
ord-3f21009c340a494daf7e1999df9682c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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