Sodium ion → 4-[6-Chloro-1-(2-trimethylsilanylethoxymethyl)-1H-benzimidazol-2-yl]-6-(4-hydroxy-3,5-dimethyl phenyl)-2-(2-trimethylsilanylethoxymethyl)-2H-pyridazin-3-one

HRID 289974

Reaction equation

HRID 289974 reaction equation
[CH3:35][c:36]1[c:37]([OH:52])[c:38]([CH3:51])[cH:39][c:40]([B:42]2[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]2)[cH:41]1.[CH3:59][O:60][CH2:61][CH2:62][O:63][CH3:64].[Cl:1][c:2]1[cH:3][c:4](-[c:17]2[n:18][c:19]3[c:20]([n:21]2[CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:5](=[O:16])[n:6]([CH2:8][O:9][CH2:10][CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[n:7]1.[Na+:53].[Na+:54].[O-:55][C:56](=[O:57])[O-:58].[Pd:65].[c:104]1([P:105]([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:123]1([P:124]([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138][cH:139][cH:140][cH:141]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:2]1(-[c:40]2[cH:39][c:38]([CH3:51])[c:37]([OH:52])[c:36]([CH3:35])[cH:41]2)[cH:3][c:4](-[c:17]2[n:18][c:19]3[c:20]([n:21]2[CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[cH:30][c:31]([Cl:34])[cH:32][cH:33]3)[c:5](=[O:16])[n:6]([CH2:8][O:9][CH2:10][CH2:11][Si:12]([CH3:13])([CH3:14])[CH3:15])[n:7]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 80711,2-DimethoxyethaneHCID 11776Triphenylphosphine4×HCID 19660Carbonate IonHCID 23938PalladiumHCID 27346492,6-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenolHCID 684548266-Chloro-4-[6-chloro-1-(2-trimethylsilanylethoxymethyl)-1H-benzimidazol-2-yl]-2-(2-trimethylsilanylethoxymethyl)-2H-pyridazin-3-one

Product 1

HCID 1363438694-[6-Chloro-1-(2-trimethylsilanylethoxymethyl)-1H-benzimidazol-2-yl]-6-(4-hydroxy-3,5-dimethyl phenyl)-2-(2-trimethylsilanylethoxymethyl)-2H-pyridazin-3-one

Sources & evidence

ORD record
ord-61e63a0a2b9b44e8954edd20cb5e6597
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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