HRID1553356

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

HCID141107

Ethyl 3-(4-bromophenyl)prop-2-enoate

C11H11BrO2

结构：CCCCCCCNC(=O)N(C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

HCID59574925

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：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C=CC(=O)OCC)cc2)c1

HCID67272510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63c96797003d484ebd3b41b593868478
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

[Br:28][c:29]1[cH:30][cH:31][c:32]([CH:33]=[CH:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:40][cH:41]1.[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:9]([N:10]([c:11]1[cH:12][c:13]([B:17]2[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]2)[cH:14][cH:15][cH:16]1)[CH3:26])=[O:27].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[K+:52].[K+:53].[K+:54].[OH2:132].[P:47]([O-:48])([O-:49])([O-:50])=[O:51].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([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)[P:99]([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)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:8][C:9]([N:10]([c:11]1[cH:12][c:13](-[c:29]2[cH:30][cH:31][c:32]([CH:33]=[CH:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:40][cH:41]2)[cH:14][cH:15][cH:16]1)[CH3:26])=[O:27]