Potassium Cation → (2-{2-Fluoro-5-methoxy-3-[2-(tetrahydropyran-2-yloxy)ethoxy]phenyl}-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene)carbamic acid methyl ester

HRID 1139290Notes

Reaction equation

HRID 1139290 reaction equation
[Br:7][CH2:8][CH2:9][O:10][CH:11]1[O:12][CH2:13][CH2:14][CH2:15][CH2:16]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:17][O:18][C:19]([N:20]=[C:21]([C:22](=[N:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[n:31][o:32][c:33]([CH3:35])[n:34]2)[cH:28][cH:29]1)[c:36]1[c:37]([F:45])[c:38]([OH:44])[cH:39][c:40]([O:42][CH3:43])[cH:41]1)[S:46][CH3:47])=[O:48].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[K+:5].[K+:6].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[OH2:49]>>[CH2:8]([CH2:9][O:10][CH:11]1[O:12][CH2:13][CH2:14][CH2:15][CH2:16]1)[O:44][c:38]1[c:37]([F:45])[c:36]([C:22]([C:21](=[N:20][C:19]([O:18][CH3:17])=[O:48])[S:46][CH3:47])=[N:23][c:24]2[cH:25][cH:26][c:27](-[c:30]3[n:31][o:32][c:33]([CH3:35])[n:34]3)[cH:28][cH:29]2)[cH:41][c:40]([O:42][CH3:43])[cH:39]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 866212-(2-Bromoethoxy)tetrahydro-2H-pyranHCID 72312745[2-(2-Fluoro-3-hydroxy-5-methoxyphenyl)-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene]carbamic acid methyl ester

Product 1

HCID 72312777(2-{2-Fluoro-5-methoxy-3-[2-(tetrahydropyran-2-yloxy)ethoxy]phenyl}-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene)carbamic acid methyl ester

Sources & evidence

ORD record
ord-114a30795336466ab3aa7187f9868396
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…