Potassium Cation → 4'-Fluoro-7'-(2-fluoropyridin-3-yl)-2'-(2-fluoropyridin-4-yl)-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-5-amine

HRID 677275Notes

Reaction equation

HRID 677275 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[F:1][C:2]([F:3])([F:4])[S:5]([O:6][c:7]1[cH:8][c:9]([F:34])[c:10]2[c:25]([cH:26]1)[C:18]1([c:17]3[c:12]([cH:13][cH:14][c:15](-[c:27]4[c:28]([F:33])[n:29][cH:30][cH:31][cH:32]4)[cH:16]3)[O:11]2)[CH2:19][O:20][CH2:21][C:22]([NH2:24])=[N:23]1)(=[O:35])=[O:36].[F:37][c:38]1[n:39][cH:40][cH:41][c:42]([B:44]([OH:45])[OH:46])[cH:43]1.[K+:51].[K+:52].[O:53]1[CH2:54][CH2:55][O:56][CH2:57][CH2:58]1>>[c:7]1(-[c:42]2[cH:41][cH:40][n:39][c:38]([F:37])[cH:43]2)[cH:8][c:9]([F:34])[c:10]2[c:25]([cH:26]1)[C:18]1([c:17]3[c:12]([cH:13][cH:14][c:15](-[c:27]4[c:28]([F:33])[n:29][cH:30][cH:31][cH:32]4)[cH:16]3)[O:11]2)[CH2:19][O:20][CH2:21][C:22]([NH2:24])=[N:23]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27833962-Fluoropyridine-4-boronic acidHCID 867619685-Amino-5'-fluoro-2'-(2-fluoropyridin-3-yl)-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthene]-7'-yl trifluoromethanesulfonate

Product 1

HCID 533903114'-Fluoro-7'-(2-fluoropyridin-3-yl)-2'-(2-fluoropyridin-4-yl)-2,6-dihydrospiro[[1,4]oxazine-3,9'-xanthen]-5-amine

Sources & evidence

ORD record
ord-5d10501addf94738bc437f183e6a1206
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…