Potassium Cation → 4-(6-amino-5-oxazolo[4,5-b]pyridin-2-yl-3-pyridyl)-N-(2-dimethylaminoethyl)benzamide

HRID 669605Notes

Reaction equation

HRID 669605 reaction equation
[Br:28][c:29]1[cH:30][c:31](-[c:36]2[o:37][c:38]3[c:39]([n:40][cH:41][cH:42][cH:43]3)[n:44]2)[c:32]([NH2:35])[n:33][cH:34]1.[CH2:68]1[O:69][CH2:70][CH2:71][O:72][CH2:73]1.[CH3:45][N:46]([CH2:47][CH2:48][NH:49][C:50]([c:51]1[cH:52][cH:53][c:54]([B:57]2[O:58][C:59]([CH3:60])([CH3:61])[C:62]([CH3:63])([CH3:64])[O:65]2)[cH:55][cH:56]1)=[O:66])[CH3:67].[CH:1]1([P:2]([CH:3]2[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]2)[CH:9]2[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[K+:25].[K+:26].[K+:27].[OH2:74].[P:20]([O-:21])([O-:22])([O-:23])=[O:24]>>[c:29]1(-[c:54]2[cH:53][cH:52][c:51]([C:50]([NH:49][CH2:48][CH2:47][N:46]([CH3:45])[CH3:67])=[O:66])[cH:56][cH:55]2)[cH:30][c:31](-[c:36]2[o:37][c:38]3[c:39]([n:40][cH:41][cH:42][cH:43]3)[n:44]2)[c:32]([NH2:35])[n:33][cH:34]1

Participants

8

Reactant 7

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 312751,4-DioxaneHCID 75806TricyclohexylphosphineHCID 2758503N-(2-dimethylaminoethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideHCID 673883775-Bromo-3-(oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine

Product 1

HCID 673885164-(6-amino-5-oxazolo[4,5-b]pyridin-2-yl-3-pyridyl)-N-(2-dimethylaminoethyl)benzamide

Sources & evidence

ORD record
ord-0678e977e6884327a41d04cabc417e85
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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