Sodium ion → Ethyl 2-(3-(4-cyanonaphthalen-1-yl)pyridin-2-ylthio)-2-methylpropanoate

HRID 2142547Notes

Reaction equation

HRID 2142547 reaction equation
[Br:1][c:2]1[c:3]([S:8][C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])([CH3:15])[CH3:16])[n:4][cH:5][cH:6][cH:7]1.[CH3:17][C:18]1([CH3:19])[C:20]([CH3:21])([CH3:22])[O:23][B:24]([c:25]2[cH:26][cH:27][c:28]([C:35]#[N:36])[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[O:37]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[c:2]1(-[c:25]2[cH:26][cH:27][c:28]([C:35]#[N:36])[c:29]3[cH:30][cH:31][cH:32][cH:33][c:34]23)[c:3]([S:8][C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])([CH3:15])[CH3:16])[n:4][cH:5][cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 67997086Ethyl 2-(3-bromopyridin-2-ylthio)-2-methylpropanoateHCID 679975564-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-naphthonitrile

Product 1

HCID 67997029Ethyl 2-(3-(4-cyanonaphthalen-1-yl)pyridin-2-ylthio)-2-methylpropanoate

Sources & evidence

ORD record
ord-f3ba85972a4545ef923b7dbf923e4225
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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