Potassium Cation → (2-{3-[2-(t-Butyldimethylsilanyloxy)ethoxy]-2-fluoro-5-methoxyphenyl}-2-(4-cyanophenylimino)-1-methylsulfanylethylidene)carbamic acid methyl ester

HRID 136307Notes

Reaction equation

HRID 136307 reaction equation
[Br:7][CH2:8][CH2:9][O:10][Si:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[CH3:17].[C:1](=[O:2])([O-:3])[O-:4].[CH3:18][O:19][C:20]([N:21]=[C:22]([C:23]([c:24]1[c:25]([F:33])[c:26]([OH:32])[cH:27][c:28]([O:30][CH3:31])[cH:29]1)=[N:34][c:35]1[cH:36][cH:37][c:38]([C:41]#[N:42])[cH:39][cH:40]1)[S:43][CH3:44])=[O:45].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[K+:5].[K+:6].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[OH2:46]>>[CH2:8]([CH2:9][O:10][Si:11]([CH3:12])([CH3:13])[C:14]([CH3:15])([CH3:16])[CH3:17])[O:32][c:26]1[c:25]([F:33])[c:24]([C:23]([C:22](=[N:21][C:20]([O:19][CH3:18])=[O:45])[S:43][CH3:44])=[N:34][c:35]2[cH:36][cH:37][c:38]([C:41]#[N:42])[cH:39][cH:40]2)[cH:29][c:28]([O:30][CH3:31])[cH:27]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 3608067(2-Bromoethoxy)-tert-butyldimethylsilaneHCID 72312839[2-(4-Cyanophenylimino)-2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-1-methylsulfanylethylidene]carbamic acid methyl ester

Product 1

HCID 72312754(2-{3-[2-(t-Butyldimethylsilanyloxy)ethoxy]-2-fluoro-5-methoxyphenyl}-2-(4-cyanophenylimino)-1-methylsulfanylethylidene)carbamic acid methyl ester

Sources & evidence

ORD record
ord-54837f1792d745a6b607b15bce7b5855
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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