Potassium Cation → 4-[5-(1-Benzo[1,3]dioxol-5-ylcyclopropyl)carbonylamino-2-methyl-phenyl]benzoic acid

HRID 1573122Notes

Reaction equation

HRID 1573122 reaction equation
[B:24]([OH:25])([OH:26])[c:27]1[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]1.[K+:36].[K+:37].[O-:38][C:39]([O-:40])=[O:41].[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18]([Br:23])[c:19]([CH3:22])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2.[O:42]=[CH:43][N:44]([CH3:45])[CH3:46]>>[O:1]1[CH2:2][O:3][c:4]2[c:5]1[cH:6][cH:7][c:8]([C:10]1([C:13](=[O:14])[NH:15][c:16]3[cH:17][c:18](-[c:27]4[cH:28][cH:29][c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35]4)[c:19]([CH3:22])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 3121834-Carboxyphenylboronic AcidHCID 592060871-(Benzo[d][1,3]dioxol-5-yl)-N-(3-bromo-4-methylphenyl)cyclopropanecarboxamide

Product 1

HCID 592060514-[5-(1-Benzo[1,3]dioxol-5-ylcyclopropyl)carbonylamino-2-methyl-phenyl]benzoic acid

Sources & evidence

ORD record
ord-2613a9fe64e049cabbba74b9c3c2ca09
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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