Potassium Cation → 1-(5-(6-Cyanopyridin-3-yl)-6-fluorobenzo[d]thiazol-2-yl)-3-ethylurea

HRID 682902Notes

Reaction equation

HRID 682902 reaction equation
[Br:1][c:2]1[c:3]([F:17])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][CH3:15])[s:9]2)[cH:16]1.[CH3:18][C:19]1([CH3:20])[C:21]([CH3:22])([CH3:23])[O:24][B:25]([c:26]2[cH:27][cH:28][c:29]([C:32]#[N:33])[n:30][cH:31]2)[O:34]1.[K+:40].[K+:41].[K+:42].[OH2:43].[P:35]([O-:36])([O-:37])([O-:38])=[O:39]>>[c:2]1(-[c:26]2[cH:27][cH:28][c:29]([C:32]#[N:33])[n:30][cH:31]2)[c:3]([F:17])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11](=[O:12])[NH:13][CH2:14][CH3:15])[s:9]2)[cH:16]1

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 164141882-Cyanopyridine-5-boronic acid pinacol esterHCID 596030721-(5-Bromo-6-fluoro-benzothiazol-2-yl)-3-ethyl-urea

Product 1

HCID 866481461-(5-(6-Cyanopyridin-3-yl)-6-fluorobenzo[d]thiazol-2-yl)-3-ethylurea

Sources & evidence

ORD record
ord-22cc8f36e21a4228b1015eb81813f65a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…