Pyridine → 9-[4-(3-fluoro-5-methylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

HRID 313296

Reaction equation

HRID 313296 reaction equation
[C:37](=[O:38])([O-:39])[O-:40].[C:46]([O:47][Cu:48][O:49][C:50](=[O:51])[CH3:52])(=[O:53])[CH3:54].[CH3:43][C:44]#[N:45].[Cs+:41].[Cs+:42].[F:1][c:2]1[cH:3][c:4]([B:9]([OH:10])[OH:11])[cH:5][c:6]([CH3:8])[cH:7]1.[O:12]=[S:13]1(=[O:30])[N:14]=[C:15]2[N:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20][CH2:21][CH:22]2[c:23]1[cH:24][cH:25][c:26]([OH:29])[cH:27][cH:28]1.[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[F:1][c:2]1[cH:3][c:4]([O:29][c:26]2[cH:25][cH:24][c:23]([CH:22]3[C:15]4=[N:14][S:13](=[O:12])(=[O:30])[CH2:18][CH2:17][N:16]4[CH2:19][CH2:20][CH2:21]3)[cH:28][cH:27]2)[cH:5][c:6]([CH3:8])[cH:7]1

Participants

8

Reactant 7

HCID 1049PyridineHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 192612653-Fluoro-5-methylbenzeneboronic acidHCID 667477204-(2,2-Dioxido-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazin-9-yl)phenolHCID 178476681HCID 178476681, compound

Product 1

HCID 1784278609-[4-(3-fluoro-5-methylphenoxy)phenyl]-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide

Sources & evidence

ORD record
ord-7ba98e91d535441b92592b048ce00a15
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

Loading…