Ethanol → 6-(4-(3-((2-hydroxy-3-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)propyl)amino)propionamido)phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone

HRID 87246Notes

Reaction equation

HRID 87246 reaction equation
[CH3:48][CH2:49][OH:50].[H:46][H:47].[OH-:51].[OH-:53].[OH:1][CH:2]([CH2:3][NH:4][CH2:5][CH2:6][C:7](=[O:8])[NH:9][c:10]1[cH:11][cH:12][c:13]([C:16]2=[N:21][NH:20][C:19](=[O:22])[CH2:18][CH:17]2[CH3:23])[cH:14][cH:15]1)[CH:24]([O:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][CH2:33][O:34][CH2:35][CH:36]2[CH2:37][CH2:38]2)[cH:30][cH:31]1)[CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Pd+2:52]>>[OH:1][CH:2]([CH2:3][NH:4][CH2:5][CH2:6][C:7](=[O:8])[NH:9][c:10]1[cH:11][cH:12][c:13]([C:16]2=[N:21][NH:20][C:19](=[O:22])[CH2:18][CH:17]2[CH3:23])[cH:14][cH:15]1)[CH2:24][O:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][CH2:33][O:34][CH2:35][CH:36]2[CH2:37][CH2:38]2)[cH:30][cH:31]1

Participants

6

Reactant 5

HCID 702EthanolHCID 961Hydroxide2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 70429974HCID 70429974, compoundHCID 178418361HCID 178418361, compound

Product 1

HCID 1833506-(4-(3-((2-hydroxy-3-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)propyl)amino)propionamido)phenyl)-5-methyl-4,5-dihydro-3(2H)-pyridazinone

Sources & evidence

ORD record
ord-04f514fd4e4042f8b09414c632000339
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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