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Ethanol → 2-(2,6-Dimethyl-phenyl)4-methyl-5-nitro-pyridine

HRID 2322756
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HRID 2322756 반응식
[C:23](=[O:24])([O-:25])[O-:26].[CH3:113][CH2:114][OH:115].[CH3:1][c:2]1[c:3]([B:9]([OH:10])[OH:11])[c:4]([CH3:8])[cH:5][cH:6][cH:7]1.[CH3:30][CH2:31][O:32][C:33]([CH3:34])=[O:35].[Cl:12][c:13]1[n:14][cH:15][c:16]([N+:20](=[O:21])[O-:22])[c:17]([CH3:19])[cH:18]1.[Na+:27].[Na+:28].[OH2:29].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)[P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([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)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[CH3:1][c:2]1[c:3](-[c:13]2[n:14][cH:15][c:16]([N+:20](=[O:21])[O-:22])[c:17]([CH3:19])[cH:18]2)[c:4]([CH3:8])[cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 923Sodium Ion2회HCID 962WaterHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 3453642-Chloro-4-methyl-5-nitropyridineHCID 5833222,6-Dimethylphenylboronic acid
HCID 178420554
HCID 178420554, 화합물

생성물 1

HCID 671525442-(2,6-Dimethyl-phenyl)4-methyl-5-nitro-pyridine

출처 및 근거

ORD 기록
ord-38b6532fd47f4776a03990405bfc6422
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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