Potassium Cation → (6-chloro-5-{2-[(N-cyclopropanecarbonyl-N-ethyl-amino)-methyl]-4-trifluoromethyl-phenyl}-pyridin-3-yl)-acetic acid ethyl ester
Reaction equation
[C:43](=[O:44])([O-:45])[O-:46].[CH2:15]([CH3:16])[N:17]([C:18](=[O:19])[CH:20]1[CH2:21][CH2:22]1)[CH2:23][c:24]1[c:25]([B:34]2[O:35][C:36]([CH3:37])([CH3:38])[C:39]([CH3:40])([CH3:41])[O:42]2)[cH:26][cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][c:9]([Cl:13])[c:10]([Br:12])[cH:11]1)=[O:14].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[K+:47].[K+:48].[OH2:138].[cH:61]1[cH:62][cH:63][c:64]([P:65]([Pd:66]([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([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)[P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([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)[cH:136][cH:137]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][c:9]([Cl:13])[c:10](-[c:25]2[c:24]([CH2:23][N:17]([CH2:15][CH3:16])[C:18](=[O:19])[CH:20]3[CH2:21][CH2:22]3)[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:26]2)[cH:11]1)=[O:14]Participants
9
Reactant 8
HCID 813Potassium Cation2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 8857Ethyl Acetate
HCID 19660Carbonate Ion
HCID 58565131HCID 58565131, compound
HCID 66607375Cyclopropanecarboxylic acid ethyl-[2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-5-trifluoromethyl-benzyl]-amide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-a11a066d0885488f86f9f539f6d3f454
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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