Sodium ion → 1-[2-hydroxy-4-(2-methoxy-5-thiophen-3-ylphenyl)-4-methyl-2-trifluoromethylpentyl]-1H-quinolin-4-one
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1.[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1.[s:32]1[cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1>>[c:2]1(-[c:34]2[cH:33][s:32][cH:36][cH:35]2)[cH:3][cH:4][c:5]([O:30][CH3:31])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-afbf255765384e1f86b04751922a88ab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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