Water → 5-(3-(1H-Pyrazol-5-yl)phenyl)-2-(4-fluorophenyl)-N-methylbenzofuran-3-carboxamide
Reaction equation
[C:1](=[O:2])([O-:3])[O-:4].[CH3:35][C:36]1([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41][B:42]([c:43]2[cH:44][c:45](-[c:49]3[cH:50][cH:51][n:52][nH:53]3)[cH:46][cH:47][cH:48]2)[O:54]1.[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[Cs+:5].[Cs+:6].[F:7][C:8]([F:9])([F:10])[S:11]([O:12][c:13]1[cH:14][cH:15][c:16]2[c:17]([c:18]([C:28]([NH:29][CH3:30])=[O:31])[c:19](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[o:20]2)[cH:32]1)(=[O:33])=[O:34].[O:55]1[CH2:56][CH2:57][O:58][CH2:59][CH2:60]1.[OH2:144].[cH:67]1[cH:68][cH:69][c:70]([P:71]([Pd:72]([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)([c:130]2[cH:131][cH:132][cH:133][cH:134][cH:135]2)[c:136]2[cH:137][cH:138][cH:139][cH:140][cH:141]2)[cH:142][cH:143]1>>[c:13]1(-[c:43]2[cH:44][c:45](-[c:49]3[cH:50][cH:51][n:52][nH:53]3)[cH:46][cH:47][cH:48]2)[cH:14][cH:15][c:16]2[c:17]([c:18]([C:28]([NH:29][CH3:30])=[O:31])[c:19](-[c:21]3[cH:22][cH:23][c:24]([F:27])[cH:25][cH:26]3)[o:20]2)[cH:32]1Participants
9
Reactant 8
HCID 962Water
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 312751,4-Dioxane
HCID 104967Cesium cation2×
HCID 59275663(4-Fluorophenyl)-3-(methylcarbamoyl)benzofuran-5-yl trifluoromethanesulfonate
HCID 672115605-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-pyrazole
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-c76b744ccd0343e28cb209841f9b3030
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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