Toluene → 4-(2-Methoxy-4-nitrophenyl)morpholine
Reaction equation
[Br:1][c:2]1[c:3]([O:11][CH3:12])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[CH2:59]1[CH2:60][O:61][CH2:62][CH2:63][NH:64]1.[CH3:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:110]=[C:111]([CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1)[CH:120]=[CH:121][c:122]1[cH:123][cH:124][cH:125][cH:126][cH:127]1.[O:74]=[C:75]([CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1)[CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1.[O:92]=[C:93]([CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1)[CH:102]=[CH:103][c:104]1[cH:105][cH:106][cH:107][cH:108][cH:109]1.[Pd:72].[Pd:73].[cH:13]1[cH:14][cH:15][c:16]([P:17]([c:18]2[cH:19][cH:20][c:21]3[c:22]([cH:23][cH:24][cH:25][cH:26]3)[c:27]2-[c:28]2[c:29]3[c:30]([cH:31][cH:32][cH:33][cH:34]3)[cH:35][cH:36][c:37]2[P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58]1>>[c:2]1([N:64]2[CH2:59][CH2:60][O:61][CH2:62][CH2:63]2)[c:3]([O:11][CH3:12])[cH:4][c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1Participants
7
Sources & evidence
- ORD record
- ord-bad30dd2710140b6b2b02eba3c27d87f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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