Ethanol → N,N'-bis[2-(1,2-dihydro-1,3-dioxo-3H-dibenz[de,h]isoquinolin-2-yl)ethyl]hexahydropyrimidine
Reaction equation
[CH2:48]=[O:49].[CH3:50][CH2:51][OH:52].[O:1]=[C:2]1[N:3]([CH2:20][CH2:21][NH:22][CH2:23][CH2:24][CH2:25][NH:26][CH2:27][CH2:28][N:29]2[C:30](=[O:47])[c:31]3[c:32]4[c:33]([cH:34][c:35]5[c:36]3[c:37]([cH:40][cH:41][cH:42]5)[C:38]2=[O:39])[cH:43][cH:44][cH:45][cH:46]4)[C:4](=[O:19])[c:5]2[c:6]3[c:7]([cH:8][c:9]4[c:10]([c:11]31)[cH:12][cH:13][cH:14][cH:15]4)[cH:16][cH:17][cH:18]2>>[O:1]=[C:2]1[N:3]([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][CH2:25][N:26]([CH2:27][CH2:28][N:29]3[C:30](=[O:47])[c:31]4[c:32]5[c:33]([cH:34][c:35]6[c:36]4[c:37]([cH:40][cH:41][cH:42]6)[C:38]3=[O:39])[cH:43][cH:44][cH:45][cH:46]5)[CH2:48]2)[C:4](=[O:19])[c:5]2[c:6]3[c:7]([cH:8][c:9]4[c:10]([c:11]31)[cH:12][cH:13][cH:14][cH:15]4)[cH:16][cH:17][cH:18]2Participants
4
Sources & evidence
- ORD record
- ord-4e1acc83b35f40039949b1c2fc32e485
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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