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

HRID 178441Notes

Reaction equation

HRID 178441 reaction equation
[Br:39][CH2:40][CH2:41][O:42][Si:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[CH3:49].[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][O:2][C:3]([N:4]=[C:5]([C:6](=[N:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][o:16][c:17]([CH3:19])[n:18]2)[cH:12][cH:13]1)[c:20]1[c:21]([F:29])[c:22]([OH:28])[cH:23][c:24]([O:26][CH3:27])[cH:25]1)[S:30][CH3:31])=[O:32].[Cl-:50].[K+:37].[K+:38].[NH4+:51].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:52]>>[CH3:1][O:2][C:3]([N:4]=[C:5]([C:6](=[N:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[n:15][o:16][c:17]([CH3:19])[n:18]2)[cH:12][cH:13]1)[c:20]1[c:21]([F:29])[c:22]([O:28][CH2:40][CH2:41][O:42][Si:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[CH3:49])[cH:23][c:24]([O:26][CH3:27])[cH:25]1)[S:30][CH3:31])=[O:32]

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 3608067(2-Bromoethoxy)-tert-butyldimethylsilaneHCID 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 72312769(2-{3-[2-(t-Butyldimethylsilanyloxy)ethoxy]-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-ca5c5a27628a4c52af701aebfd21a01d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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