HRID139686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID57976762

N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C13H20BNO2

HCID67305010

未命名化合物

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：CCCOC(Cc1ccc(-c2cccc(NC)c2)cc1)C(=O)OC

HCID77263328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d4d2edec0e84b799a058900d2d5d9d2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10](=[O:11])[O:12][CH3:13])[O:14][CH2:15][CH2:16][CH3:17])[cH:6][cH:7]1.[CH3:18][NH:19][c:20]1[cH:21][c:22]([B:26]2[O:27][C:28]([CH3:29])([CH3:30])[C:31]([CH3:32])([CH3:33])[O:34]2)[cH:23][cH:24][cH:25]1.[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[K+:40].[K+:41].[K+:42].[OH2:43].[P:35]([O-:36])([O-:37])([O-:38])=[O:39].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[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)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:22]2[cH:21][c:20]([NH:19][CH3:18])[cH:25][cH:24][cH:23]2)[cH:3][cH:4][c:5]([CH2:8][CH:9]([C:10](=[O:11])[O:12][CH3:13])[O:14][CH2:15][CH2:16][CH3:17])[cH:6][cH:7]1