Potassium Cation → 7-(4-Fluoro-phenoxy)-4-hydroxy-1-methyl-isoquinoline-3-carboxylic acid butyl ester
Reaction equation
[CH2:120]1[O:121][CH2:122][CH2:123][O:124][CH2:125]1.[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([Br:27])[c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18].[CH3:28][B:29]1[O:30][B:31]([CH3:32])[O:33][B:34]([CH3:35])[O:36]1.[K+:37].[K+:38].[O-:39][C:40]([O-:41])=[O:42].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([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)[cH:118][cH:119]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[n:9][c:10]([CH3:28])[c:11]2[cH:12][c:13]([O:19][c:20]3[cH:21][cH:22][c:23]([F:26])[cH:24][cH:25]3)[cH:14][cH:15][c:16]2[c:17]1[OH:18]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-5c1ef89f2be74c35a19f4e410caf99b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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