Sodium ion → 3-(3-Nitropyridin-4-yl)cyclohex-2-enone
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:10][C:11](=[O:15])[CH2:12][CH2:13][CH2:14]2)[O:16]1.[CH3:39][CH2:40][O:41][C:42]([CH3:43])=[O:44].[Cl:17][c:18]1[c:19]([N+:24](=[O:25])[O-:26])[cH:20][n:21][cH:22][cH:23]1.[Na+:37].[Na+:38].[O:27]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1.[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[C:9]1([c:18]2[c:19]([N+:24](=[O:25])[O-:26])[cH:20][n:21][cH:22][cH:23]2)=[CH:10][C:11](=[O:15])[CH2:12][CH2:13][CH2:14]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-ee23ced2a2334f6cabd28403ee26df32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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