Potassium Cation → 3-Isopropenyl-4-methoxy-5-nitrobenzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([N+:12](=[O:13])[O-:14])[c:9]1[O:10][CH3:11].[C:16](=[CH2:17])([CH3:18])[B:19]([OH:20])[OH:21].[C:22](=[O:23])([O-:24])[O-:25].[CH3:28][O:29][CH2:30][CH2:31][O:32][CH3:33].[K+:26].[K+:27].[OH2:15].[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[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)[cH:109][cH:110]1>>[c:2]1([C:16](=[CH2:17])[CH3:18])[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([N+:12](=[O:13])[O-:14])[c:9]1[O:10][CH3:11]Participants
8
Sources & evidence
- ORD record
- ord-a1be9479e647485ca5ff4044732a6901
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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