1,3-Dimethoxybenzene → 4-(2',6'-Dimethoxyphenyl)-2-nitrobenzyl alcohol

HRID 123576

Reaction equation

HRID 123576 reaction equation
[BH:13]([OH:14])[OH:15].[C:26](=[O:27])([O-:28])[O-:29].[CH3:16][O:17][c:18]1[cH:19][c:20]([O:24][CH3:25])[cH:21][cH:22][cH:23]1.[Cs+:30].[Cs+:31].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH2:6][OH:7])[cH:8][cH:9][c:10]([Cl:12])[cH:11]1.[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Pd:38].[Pd:39]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([CH2:6][OH:7])[cH:8][cH:9][c:10](-[c:19]2[c:18]([O:17][CH3:16])[cH:23][cH:22][cH:21][c:20]2[O:24][CH3:25])[cH:11]1

Participants

9

Reactant 8

HCID 90251,3-DimethoxybenzeneHCID 19660Carbonate IonHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 61668Boronic AcidHCID 899564-Chloro-2-nitrobenzyl alcoholHCID 95417Dibenzylidene acetone3×HCID 104967Cesium cation2×

Product 1

HCID 700560064-(2',6'-Dimethoxyphenyl)-2-nitrobenzyl alcohol

Sources & evidence

ORD record
ord-8242bd396f5c40298aa9de43806414b8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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