Water → 2-(5-Cyano-2-fluoro-benzoyl)-cyclopropanecarboxylic acid ethyl ester

HRID 2348569Notes

Reaction equation

HRID 2348569 reaction equation
[CH2:13]([CH3:14])[O:15][C:16](=[O:17])[CH:18]1[CH:19]([C:21](=[O:22])[S:23][c:24]2[cH:25][cH:26][c:27]([CH3:28])[cH:29][cH:30]2)[CH2:20]1.[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:107](=[CH:108][C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)=[O:118])[c:119]1[cH:120][cH:121][cH:122][cH:123][cH:124]1.[CH:71](=[CH:72][C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)=[O:82])[c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH:89](=[CH:90][C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)=[O:100])[c:101]1[cH:102][cH:103][cH:104][cH:105][cH:106]1.[Cl:125][CH:126]([Cl:127])[Cl:128].[Cu+2:60].[F:1][c:2]1[c:3]([B:10]([OH:11])[OH:12])[cH:4][c:5]([C:8]#[N:9])[cH:6][cH:7]1.[OH2:129].[Pd:69].[Pd:70].[o:31]1[cH:32][cH:33][cH:34][c:35]1[P:36]([c:37]1[o:38][cH:39][cH:40][cH:41]1)[c:42]1[o:43][cH:44][cH:45][cH:46]1.[s:52]1[cH:53][cH:54][cH:55][c:56]1[C:57]([O-:58])=[O:59].[s:61]1[cH:62][cH:63][cH:64][c:65]1[C:66]([O-:67])=[O:68]>>[F:1][c:2]1[c:3]([C:21]([CH:19]2[CH:18]([C:16]([O:15][CH2:13][CH3:14])=[O:17])[CH2:20]2)=[O:22])[cH:4][c:5]([C:8]#[N:9])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 962WaterHCID 6212ChloroformHCID 8028TetrahydrofuranHCID 23938Palladium2×HCID 27099Cupric cationHCID 95417Dibenzylidene acetone3×HCID 521585Tris(furan-2-yl)phosphaneHCID 27833615-Cyano-2-fluorobenzeneboronic acidHCID 5017639Thiophene-2-carboxylate2×HCID 865876872-p-Tolylsulfanylcarbonyl-cyclopropanecarboxylic acid ethyl ester

Product 1

HCID 698411172-(5-Cyano-2-fluoro-benzoyl)-cyclopropanecarboxylic acid ethyl ester

Sources & evidence

ORD record
ord-1e602c3ac02a4222b41844c0f14c6abc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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