Potassium Cation → 5-[2-amino-3'-(3,3-dimethylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-7'-yl]pyridine-3-carbonitrile

HRID 1138761Notes

Reaction equation

HRID 1138761 reaction equation
[C:12](=[O:13])([O-:14])[O-:15].[C:1](#[N:2])[c:3]1[cH:4][c:5]([B:9]([OH:10])[OH:11])[cH:6][n:7][cH:8]1.[F:18][C:19]([F:20])([F:21])[S:22]([O:23][c:24]1[cH:25][c:26]2[c:41]([cH:42][cH:43]1)[O:40][c:29]1[c:28]([cH:33][c:32]([C:34]#[C:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:31][n:30]1)[C:27]21[N:44]=[C:45]([NH2:48])[O:46][CH2:47]1)(=[O:49])=[O:50].[K+:16].[K+:17].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH2:57]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:24]2[cH:25][c:26]3[c:41]([cH:42][cH:43]2)[O:40][c:29]2[c:28]([cH:33][c:32]([C:34]#[C:35][C:36]([CH3:37])([CH3:38])[CH3:39])[cH:31][n:30]2)[C:27]32[N:44]=[C:45]([NH2:48])[O:46][CH2:47]2)[cH:6][n:7][cH:8]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 450795765-Cyanopyridine-3-boronic acidHCID 87323354[2-amino-3'-(3,3-dimethylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-7'-yl] trifluoromethanesulfonate

Product 1

HCID 672421775-[2-amino-3'-(3,3-dimethylbut-1-ynyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-7'-yl]pyridine-3-carbonitrile

Sources & evidence

ORD record
ord-a03bedb0bf484642a62a09dc898be726
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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