HRID316294

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID19660

Carbonate

CO3-2

HCID24290

未命名化合物

HCID2773330

2-Chloro-4-methoxyphenylboronic acid

C7H8BClO3

HCID22052065

2-(Benzyloxy)-4-chloro-3-nitropyridine

C12H9ClN2O3

PRODUCTS

生成物

结构：COc1ccc(-c2ccnc(OCc3ccccc3)c2[N+](=O)[O-])c(Cl)c1

HCID22052042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ac66bd76d81e4da0a007a82c4ee958fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:19](=[O:20])([O-:21])[O-:22].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][c:13]([Cl:18])[c:14]1[N+:15](=[O:16])[O-:17].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[CH3:43][CH2:44][OH:45].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:25][c:26]1[c:27]([B:34]([OH:35])[OH:36])[cH:28][cH:29][c:30]([O:32][CH3:33])[cH:31]1.[Na+:23].[Na+:24].[OH2:94].[Pd:53]([Cl:54])[Cl:55].[c:56]1([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[cH:70][cH:71][cH:72][cH:73][cH:74]1.[c:75]1([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[cH:89][cH:90][cH:91][cH:92][cH:93]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[n:10][cH:11][cH:12][c:13](-[c:27]2[c:26]([Cl:25])[cH:31][c:30]([O:32][CH3:33])[cH:29][cH:28]2)[c:14]1[N+:15](=[O:16])[O-:17]