Sodium ion → 3-(2-Phenylthiophen-3-yl)-1-[3-(trifluoromethyl)phenyl]pyridazin-4(1H)-one
Reaction equation
[Br:1][c:2]1[n:3][n:4](-[c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]2)[cH:5][cH:6][c:7]1=[O:8].[C:33](=[O:34])([O-:35])[O-:36].[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[Na+:37].[Na+:38].[OH2:45].[c:19]1(-[c:25]2[s:26][cH:27][cH:28][c:29]2[B:30]([OH:31])[OH:32])[cH:20][cH:21][cH:22][cH:23][cH:24]1.[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>>[c:2]1(-[c:29]2[c:25](-[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[s:26][cH:27][cH:28]2)[n:3][n:4](-[c:9]2[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[cH:12][cH:13][cH:14]2)[cH:5][cH:6][c:7]1=[O:8]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-86324bafb4434bd8885e4137942f063d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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