1-[4-(2-Isobutoxyethyl)phenoxy]-2,3-epoxypropane → 6-[4-[3-[3-(4-(2-Isobutoxy-ethyl)phenoxy)-2-hydroxypropylamino]propoxy]-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

HRID 99251Notes

Reaction equation

HRID 99251 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][CH2:22][O:23][c:24]1[c:25]([CH3:37])[cH:26][c:27]([C:30]2=[N:35][NH:34][C:33](=[O:36])[CH2:32][CH2:31]2)[cH:28][cH:29]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][CH2:22][O:23][c:24]2[c:25]([CH3:37])[cH:26][c:27]([C:30]3=[N:35][NH:34][C:33](=[O:36])[CH2:32][CH2:31]3)[cH:28][cH:29]2)[OH:16])[cH:17][cH:18]1

Participants

3

Reactant 2

HCID 151078061-[4-(2-Isobutoxyethyl)phenoxy]-2,3-epoxypropaneHCID 151078206-[4-(3-aminopropoxy)-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

Product 1

HCID 148844196-[4-[3-[3-(4-(2-Isobutoxy-ethyl)phenoxy)-2-hydroxypropylamino]propoxy]-3-methyl-phenyl]-4,5-dihydro-3(2H)-pyridazinone

Sources & evidence

ORD record
ord-0816f29dad7f4d43a7b7299b1fe0bd36
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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