Potassium Cation → (3-{3-[(Cyclopropanecarbonyl-ethyl-amino)-methyl]-5-methyl-pyridin-2-yl}-4-methoxy-phenyl)-acetic acid ethyl ester
Reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH2:18]([CH3:19])[O:20][C:21]([CH2:22][c:23]1[cH:24][c:25]([B:31]2[O:32][C:33]([CH3:34])([CH3:35])[C:36]([CH3:37])([CH3:38])[O:39]2)[c:26]([O:29][CH3:30])[cH:27][cH:28]1)=[O:40].[CH3:47][O:48][CH2:49][CH2:50][O:51][CH3:52].[Cl:1][c:2]1[n:3][cH:4][c:5]([CH3:17])[cH:6][c:7]1[CH2:8][N:9]([C:10](=[O:11])[CH:12]1[CH2:13][CH2:14]1)[CH2:15][CH3:16].[K+:45].[K+:46].[OH2:53].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:25]2[cH:24][c:23]([CH2:22][C:21]([O:20][CH2:18][CH3:19])=[O:40])[cH:28][cH:27][c:26]2[O:29][CH3:30])[n:3][cH:4][c:5]([CH3:17])[cH:6][c:7]1[CH2:8][N:9]([C:10](=[O:11])[CH:12]1[CH2:13][CH2:14]1)[CH2:15][CH3:16]Participants
8
Reactant 7
HCID 813Potassium Cation2×
HCID 962Water
HCID 80711,2-Dimethoxyethane
HCID 19660Carbonate Ion
HCID 58120060[4-Methoxy-3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetic acid ethyl ester
HCID 58579965Cyclopropanecarboxylic acid (2-chloro-5-methyl-pyridin-3-ylmethyl)-ethyl-amide
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-493122d69f96487b8c4c1bfeefda4650
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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