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

HRID 164841Notes

Reaction equation

HRID 164841 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]([c:25]1[c:26]([F:34])[c:27]([OH:33])[cH:28][c:29]([O:31][CH3:32])[cH:30]1)=[N:35][c:36]1[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]1)[S:44][CH3:45])=[O:46].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cs+:5].[Cs+:6].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:47]>>[CH2:8]([CH2:9][CH2:10][O:11][Si:12]([CH3:13])([CH3:14])[C:15]([CH3:16])([CH3:17])[CH3:18])[O:33][c:27]1[c:26]([F:34])[c:25]([C:24]([C:23](=[N:22][C:21]([O:20][CH3:19])=[O:46])[S:44][CH3:45])=[N:35][c:36]2[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][cH:41]2)[cH:30][c:29]([O:31][CH3:32])[cH:28]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 607486(3-Bromopropoxy)(tert-butyl)dimethylsilaneHCID 72312839[2-(4-Cyanophenylimino)-2-(2-fluoro-3-hydroxy-5-methoxyphenyl)-1-methylsulfanylethylidene]carbamic acid methyl ester

Product 1

HCID 72312816(2-{3-[3-(t-Butyldimethylsilanyloxy)propoxy]-2-fluoro-5-methoxyphenyl}-2-(4-cyanophenylimino)-1-methylsulfanylethylidene)carbamic acid methyl ester

Sources & evidence

ORD record
ord-c3eecb2f46dc47c393f5534f16dca0b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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