Dimethylformamide → 2-Propyl-7-(3,4-difluorophenylethynyl)phenanthrene
Reaction equation
[C:19](#[CH:20])[c:21]1[cH:22][c:23]([F:28])[c:24]([F:27])[cH:25][cH:26]1.[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[I:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][c:7]3[cH:8][c:9]([CH2:16][CH2:17][CH3:18])[cH:10][cH:11][c:12]3[c:13]2[cH:14][cH:15]1.[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1([C:20]#[C:19][c:21]2[cH:22][c:23]([F:28])[c:24]([F:27])[cH:25][cH:26]2)[cH:3][c:4]2[cH:5][cH:6][c:7]3[cH:8][c:9]([CH2:16][CH2:17][CH3:18])[cH:10][cH:11][c:12]3[c:13]2[cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-81df7b4028a1415da08f4a6cb004b975
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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