Sodium ion → 5-Cyclopropyl-2,4-dinitrobenzaldehyde
Reaction equation
[Br:1][c:2]1[c:3]([N+:13](=[O:14])[O-:15])[cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([CH:7]=[O:8])[cH:9]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[CH:22]1([B:25]([OH:26])[OH:27])[CH2:23][CH2:24]1.[Na+:16].[Na+:17].[O-:18][C:19](=[O:20])[O-:21].[OH2:35].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[c:2]1([CH:22]2[CH2:23][CH2:24]2)[c:3]([N+:13](=[O:14])[O-:15])[cH:4][c:5]([N+:10](=[O:11])[O-:12])[c:6]([CH:7]=[O:8])[cH:9]1Participants
9
Sources & evidence
- ORD record
- ord-a0cd48bae06247fcb7c46e9a5766937a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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