Water → (2-{3-[3-(t-Butyldimethylsilanyloxy)propoxy]-2-fluoro-5-methoxyphenyl}-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene)carbamic acid methyl ester

HRID 286569Notes

Reaction equation

HRID 286569 reaction equation
[Br:7][CH2:8][CH2:9][CH2:10][O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18].[C:1](=[O:2])([O-:3])[O-:4].[CH3:19][O:20][C:21]([N:22]=[C:23]([C:24](=[N:25][c:26]1[cH:27][cH:28][c:29](-[c:32]2[n:33][o:34][c:35]([CH3:37])[n:36]2)[cH:30][cH:31]1)[c:38]1[c:39]([F:47])[c:40]([OH:46])[cH:41][c:42]([O:44][CH3:45])[cH:43]1)[S:48][CH3:49])=[O:50].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cs+:5].[Cs+:6].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[OH2:51]>>[CH2:8]([CH2:9][CH2:10][O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[O:46][c:40]1[c:39]([F:47])[c:38]([C:24]([C:23](=[N:22][C:21]([O:20][CH3:19])=[O:50])[S:48][CH3:49])=[N:25][c:26]2[cH:27][cH:28][c:29](-[c:32]3[n:33][o:34][c:35]([CH3:37])[n:36]3)[cH:30][cH:31]2)[cH:43][c:42]([O:44][CH3:45])[cH:41]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 607486(3-Bromopropoxy)(tert-butyl)dimethylsilaneHCID 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 72312847(2-{3-[3-(t-Butyldimethylsilanyloxy)propoxy]-2-fluoro-5-methoxyphenyl}-2-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylimino]-1-methylsulfanylethylidene)carbamic acid methyl ester

Sources & evidence

ORD record
ord-3d4ce77d8bc8410c98a3fd18cbf45376
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…