Potassium Cation → 7'-(3,3-Dimethylbut-1-ynyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

HRID 2329570Notes

Reaction equation

HRID 2329570 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([C:22]#[C:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:13][c:14]1[C:15]21[CH2:16][O:17][CH2:18][C:19]([NH2:21])=[N:20]1.[F:28][c:29]1[n:30][cH:31][cH:32][c:33]([B:35]([OH:36])[OH:37])[cH:34]1.[K+:43].[K+:44].[K+:45].[OH2:46].[P:38]([O-:39])([O-:40])([O-:41])=[O:42]>>[c:2]1(-[c:33]2[cH:32][cH:31][n:30][c:29]([F:28])[cH:34]2)[cH:3][c:4]2[c:5]([n:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]([C:22]#[C:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:13][c:14]1[C:15]21[CH2:16][O:17][CH2:18][C:19]([NH2:21])=[N:20]1

Participants

6

Reactant 5

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 27833962-Fluoropyridine-4-boronic acidHCID 673872953'-Bromo-7'-(3,3-dimethylbut-1-ynyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

Product 1

HCID 673870167'-(3,3-Dimethylbut-1-ynyl)-3'-(2-fluoro-4-pyridinyl)spiro[2,6-dihydro-1,4-oxazine-5,5'-chromeno[2,3-b]pyridine]-3-amine

Sources & evidence

ORD record
ord-a18f9ddfe8db41f4bd4095bc43d33f7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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