Acetic Acid → {2-(4-Cyanophenylimino)-2-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-1-methylsulfanylethylidene}carbamic acid methyl ester

HRID 673602Notes

Reaction equation

HRID 673602 reaction equation
[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH2:6]([N+:7]([CH2:8][CH2:9][CH2:10][CH3:11])([CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH2:18][CH3:19])[CH2:20][CH2:21][CH3:22].[CH3:1][C:2](=[O:3])[OH:4].[CH3:23][O:24][C:25]([N:26]=[C:27]([C:28](=[N:29][c:30]1[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]1)[c:38]1[c:39]([F:57])[c:40]([O:46][CH2:47][CH2:48][O:49][Si:50]([C:51]([CH3:52])([CH3:53])[CH3:54])([CH3:55])[CH3:56])[cH:41][c:42]([O:44][CH3:45])[cH:43]1)[S:58][CH3:59])=[O:60].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[Cl-:61].[F-:5].[NH4+:62]>>[CH3:23][O:24][C:25]([N:26]=[C:27]([C:28](=[N:29][c:30]1[cH:31][cH:32][c:33]([C:36]#[N:37])[cH:34][cH:35]1)[c:38]1[c:39]([F:57])[c:40]([O:46][CH2:47][CH2:48][OH:49])[cH:41][c:42]([O:44][CH3:45])[cH:43]1)[S:58][CH3:59])=[O:60]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 72312754(2-{3-[2-(t-Butyldimethylsilanyloxy)ethoxy]-2-fluoro-5-methoxyphenyl}-2-(4-cyanophenylimino)-1-methylsulfanylethylidene)carbamic acid methyl ester

Product 1

HCID 72312835{2-(4-Cyanophenylimino)-2-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-1-methylsulfanylethylidene}carbamic acid methyl ester

Sources & evidence

ORD record
ord-c917069f82ad4d6a9e28a914fd617524
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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