Potassium Cation → 5'-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-4-(N,N-dimethylsulfamoyl)-2'-methylbiphenyl-3-carboxylic acid

HRID 670642Notes

Reaction equation

HRID 670642 reaction equation
[Br:32][c:33]1[cH:34][cH:35][c:36]([S:42]([N:43]([CH3:44])[CH3:45])(=[O:46])=[O:47])[c:37]([C:38](=[O:39])[OH:40])[cH:41]1.[K+:48].[K+:49].[O-:50][C:51]([O-:52])=[O:53].[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]([B:23]4[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]4)[c:19]([CH3:22])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2.[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[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:33]4[cH:34][cH:35][c:36]([S:42]([N:43]([CH3:44])[CH3:45])(=[O:46])=[O:47])[c:37]([C:38](=[O:39])[OH:40])[cH:41]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 592061981-(benzo[d][1,3]dioxol-5-yl)-N-(4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropanecarboxamideHCID 592067205-bromo-2-(N,N-dimethylsulfamoyl)benzoic acid

Product 1

HCID 592065005'-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-4-(N,N-dimethylsulfamoyl)-2'-methylbiphenyl-3-carboxylic acid

Sources & evidence

ORD record
ord-5fe2e7b462c74273a77038d330bc384d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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