1-[4-(2-Isobutoxyethyl)phenoxy]-2,3-epoxypropane → 6-[4-[2-[3-(4-(2-Isobutoxy-ethyl)phenoxy)-2-hydroxypropylamino]ethoxy]-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone
Reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([O:12][CH2:13][CH:14]2[CH2:15][O:16]2)[cH:17][cH:18]1.[NH2:19][CH2:20][CH2:21][O:22][c:23]1[c:24]([CH3:36])[cH:25][c:26]([C:29]2=[N:34][NH:33][C:32](=[O:35])[CH2:31][CH2:30]2)[cH:27][cH:28]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][CH2:6][CH2:7][c:8]1[cH:9][cH:10][c:11]([O:12][CH2:13][CH:14]([CH2:15][NH:19][CH2:20][CH2:21][O:22][c:23]2[c:24]([CH3:36])[cH:25][c:26]([C:29]3=[N:34][NH:33][C:32](=[O:35])[CH2:31][CH2:30]3)[cH:27][cH:28]2)[OH:16])[cH:17][cH:18]1Participants
3
Sources & evidence
- ORD record
- ord-7c2de37a95804ced92c75e35c25dbb25
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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