Sodium ion → 1-[6-(4-Hydroxy-3,5-dimethyl-phenyl)-3-methoxy-pyridazin-4-yl]-propan-1-one

HRID 319376

Reaction equation

HRID 319376 reaction equation
[CH3:14][c:15]1[c:16]([OH:31])[c:17]([CH3:30])[cH:18][c:19]([B:21]2[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]2)[cH:20]1.[CH3:38][CH2:39][O:40][C:41](=[O:42])[CH3:43].[CH3:44][O:45][CH2:46][CH2:47][O:48][CH3:49].[Cl:1][c:2]1[cH:3][c:4]([C:10]([CH2:11][CH3:12])=[O:13])[c:5]([O:8][CH3:9])[n:6][n:7]1.[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[Pd:50].[c:108]1([P:109]([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123][cH:124][cH:125][cH:126]1.[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:2]1(-[c:19]2[cH:18][c:17]([CH3:30])[c:16]([OH:31])[c:15]([CH3:14])[cH:20]2)[cH:3][c:4]([C:10]([CH2:11][CH3:12])=[O:13])[c:5]([O:8][CH3:9])[n:6][n:7]1

Participants

9

Reactant 8

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 27346492,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 230924891-(6-Chloro-3-methoxy-pyridazin-4-yl)-propan-1-one

Product 1

HCID 1363396351-[6-(4-Hydroxy-3,5-dimethyl-phenyl)-3-methoxy-pyridazin-4-yl]-propan-1-one

Sources & evidence

ORD record
ord-f52afa9854a14e4c95ffa1e85a77ea60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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