Dimethyl Sulfoxide → 1,3-Benzothiazol-2-yl[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile

HRID 2347437Notes

Reaction equation

HRID 2347437 reaction equation
[C:29](=[O:30])([O-:31])[O-:32].[CH3:20][O:21][c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1.[CH3:35][S:36]([CH3:37])=[O:38].[Cs+:33].[Cs+:34].[s:1]1[c:2]([CH:10]([C:11]#[N:12])[c:13]2[n:14][c:15]([Cl:19])[n:16][cH:17][cH:18]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([CH:10]([C:11]#[N:12])[c:13]2[n:14][c:15]([O:28][c:25]3[cH:24][cH:23][c:22]([O:21][CH3:20])[cH:27][cH:26]3)[n:16][cH:17][cH:18]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 90154-MethoxyphenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 395229HCID 395229, compound

Product 1

HCID 99514801,3-Benzothiazol-2-yl[2-(4-methoxyphenoxy)pyrimidin-4-yl]acetonitrile

Sources & evidence

ORD record
ord-e35e01e106b84fdab4f1fbb47bf588ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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