Potassium Cation → 5'-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-2'-(cyanomethyl)-N,N-dimethylbiphenyl-4-carboxamide

HRID 669985Notes

Reaction equation

HRID 669985 reaction equation
[CH3:26][N:27]([C:28](=[O:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1)[CH3:39].[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[K+:40].[K+:41].[O-:42][C:43]([O-:44])=[O:45].[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:25])[c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2>>[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:32][cH:31][c:30]([C:28]([N:27]([CH3:26])[CH3:39])=[O:29])[cH:35][cH:34]4)[c:19]([CH2:22][C:23]#[N:24])[cH:20][cH:21]3)[CH2:11][CH2:12]1)[cH:9]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 35037674-(Dimethylcarbamoyl)phenylboronic AcidHCID 592067161-(Benzo[d][1,3]dioxol-5-yl)-N-(3-bromo-4-(cyanomethyl)phenyl)cyclopropane-carboxamide

Product 1

HCID 592062865'-(1-(benzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-2'-(cyanomethyl)-N,N-dimethylbiphenyl-4-carboxamide

Sources & evidence

ORD record
ord-2369491964f34b50b66c7cf6688bc735
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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