Acetone → 1-(3-Coumarinylcarbonyl)-4-(3,4,5-trimethoxybenzyl)piperazine
Reaction equation
[C:43]([P:44](=[O:45])([O:46][CH2:47][CH3:48])[O:49][CH2:50][CH3:51])#[N:52].[CH2:53]([O:54][CH2:55][CH3:56])[CH3:57].[CH3:17][O:18][c:19]1[cH:20][c:21]([CH2:22][N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:29][c:30]([O:34][CH3:35])[c:31]1[O:32][CH3:33].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:58][C:59](=[O:60])[CH3:61].[CH3:62][CH2:63][CH2:64][CH2:65][CH2:66][CH3:67].[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[ClH:15].[ClH:16].[OH2:74].[o:1]1[c:2](=[O:3])[c:4]([C:12](=[O:13])[OH:14])[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12>>[o:1]1[c:2](=[O:3])[c:4]([C:12](=[O:14])[N:26]2[CH2:25][CH2:24][N:23]([CH2:22][c:21]3[cH:20][c:19]([O:18][CH3:17])[c:31]([O:32][CH3:33])[c:30]([O:34][CH3:35])[cH:29]3)[CH2:28][CH2:27]2)[cH:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-d9e3bd6d4c1649e8998d2377d0b8b8b1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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