Hydroxide → 1-Mesityl-2-methyl-3-nitrobenzene
Reaction equation
[Ba+2:34].[Br:1][c:2]1[c:3]([CH3:11])[c:4]([N+:8](=[O:9])[O-:10])[cH:5][cH:6][cH:7]1.[CH3:36][O:37][CH:38]([O:39][CH3:40])[CH3:41].[OH-:33].[OH-:35].[OH2:25].[OH2:26].[OH2:27].[OH2:28].[OH2:29].[OH2:30].[OH2:31].[OH2:32].[OH2:42].[c:12]1([CH3:24])[c:13]([O:20][B:21]([OH:22])[OH:23])[c:14]([CH3:19])[cH:15][c:16]([CH3:18])[cH:17]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[c:2]1(-[c:13]2[c:12]([CH3:24])[cH:17][c:16]([CH3:18])[cH:15][c:14]2[CH3:19])[c:3]([CH3:11])[c:4]([N+:8](=[O:9])[O-:10])[cH:5][cH:6][cH:7]1Participants
8
Sources & evidence
- ORD record
- ord-b7cf565f5fb24768bca9d38f3243c3b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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