Toluene → 4,4-Dimethyl-1-(6-(phenylethynyl)pyridazin-3-yl)piperidin-2-one
Reaction equation
[CH3:16][C:17]1([CH3:24])[CH2:18][C:19](=[O:23])[NH:20][CH2:21][CH2:22]1.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[I:1][c:2]1[n:3][n:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1.[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:74].[Pd:75].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[c:34]3[c:58]([cH:59][cH:60][cH:61]2)[C:55]([CH3:56])([CH3:57])[c:37]2[c:36]([c:41]([P:42]([c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[c:49]4[cH:50][cH:51][cH:52][cH:53][cH:54]4)[cH:40][cH:39][cH:38]2)[O:35]3)[cH:62][cH:63][cH:64][cH:65][cH:66]1>>[c:2]1([N:20]2[C:19](=[O:23])[CH2:18][C:17]([CH3:16])([CH3:24])[CH2:22][CH2:21]2)[n:3][n:4][c:5]([C:8]#[C:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[cH:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2ec53001f0cc4b71b1ba87cb901f447c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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