HRID1570578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID736029

4-Bromo-2-fluorobenzonitrile

C7H3BrFN

HCID10987806

(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

C10H12BNO4

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)c(F)c3)cc21

HCID9857366

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-457ca187843f437c9f43fbff4b749df9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4]([F:10])[cH:5][c:6]([Br:9])[cH:7][cH:8]1.[CH3:11][C:12]1([CH3:26])[O:13][C:14](=[O:25])[NH:15][c:16]2[c:17]1[cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]2.[CH3:35][O:36][CH2:37][CH2:38][O:39][CH3:40].[Na+:27].[Na+:28].[Na+:34].[O-:29][C:30](=[O:31])[O-:32].[OH-:33].[OH2:41].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([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)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[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)[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)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[C:1](#[N:2])[c:3]1[c:4]([F:10])[cH:5][c:6](-[c:19]2[cH:18][c:17]3[c:16]([cH:21][cH:20]2)[NH:15][C:14](=[O:25])[O:13][C:12]3([CH3:11])[CH3:26])[cH:7][cH:8]1