Potassium Cation → Lumacaftor

HRID 2349539Notes

Reaction equation

HRID 2349539 reaction equation
[B:26]([OH:27])([OH:28])[c:29]1[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]1.[C:38](=[O:39])([O-:40])[O-:41].[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.[K+:42].[K+:43].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[c:2]1(-[c:29]2[cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36][cH:37]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 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 27339573-Carboxyphenylboronic acidHCID 59165796N-(6-chloro-5-methylpyridin-2-yl)-1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxamide

Product 1

HCID 16678941Lumacaftor

Sources & evidence

ORD record
ord-a65b24f9a61a44e594d16c0bdb47774d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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