Bicarbonate Ion → Methyl 4-methoxy-2-(4-fluorophenyl)benzoate
Reaction equation
[C:1](=[O:2])([O-:3])[OH:4].[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[CH3:6][O:7][c:8]1[cH:9][c:10]([S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24])[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1.[F:25][c:26]1[cH:27][cH:28][c:29]([B:32]([OH:33])[OH:34])[cH:30][cH:31]1.[Na+:5].[Pd:41].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[CH3:6][O:7][c:8]1[cH:9][c:10](-[c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17]1Participants
8
Sources & evidence
- ORD record
- ord-729361461a694ab6928a2536092be9bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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