1-Butanol → 2,5-Dimethyl-4-(pyridin-3-yl)aniline
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([CH3:10])[c:5]([NH2:6])[cH:7][c:8]1[CH3:9].[C:49](=[O:50])([O-:51])[O-:52].[CH2:55]([OH:56])[CH2:57][CH2:58][CH3:59].[CH:20]1([P:21]([CH:22]2[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2-[c:34]2[c:35]([O:36][CH3:37])[cH:38][cH:39][cH:40][c:41]2[O:42][CH3:43])[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[Na+:53].[Na+:54].[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[O:98]=[C:99]([CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1)[CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1.[Pd:60].[Pd:61].[n:11]1[cH:12][c:13]([B:17]([OH:18])[OH:19])[cH:14][cH:15][cH:16]1>>[c:2]1(-[c:13]2[cH:12][n:11][cH:16][cH:15][cH:14]2)[cH:3][c:4]([CH3:10])[c:5]([NH2:6])[cH:7][c:8]1[CH3:9]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-d627f13901e84f13b06e73cca2722ab2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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