Potassium Cation → HCID 9910080, compound

HRID 151965Notes

Reaction equation

HRID 151965 reaction equation
[Br:21][CH2:22][C:23](=[O:24])[c:25]1[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1.[C:33](=[O:34])([O-:35])[O-:36].[CH:1]12[CH2:2][N:3]([CH2:10][CH2:11][O:12][c:13]3[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]3)[CH2:4][CH:5]([CH2:6][NH:7][CH2:8]1)[O:9]2.[K+:37].[K+:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[CH:1]12[CH2:2][N:3]([CH2:10][CH2:11][O:12][c:13]3[cH:14][cH:15][c:16]([C:17]#[N:18])[cH:19][cH:20]3)[CH2:4][CH:5]([CH2:6][N:7]([CH2:22][C:23](=[O:24])[c:25]3[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]3)[CH2:8]1)[O:9]2

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 4965Bromomethyl 4-methoxyphenyl ketoneHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 185403754-[2-(9-Oxa-3,7-diazabicyclo[3.3.1]non-3-yl)ethoxy]benzonitrile

Product 1

HCID 9910080HCID 9910080, compound

Sources & evidence

ORD record
ord-4456c7129fbf47da8c496e3ae76728c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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