HRID293604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2734381

2-Phenylvinylboronic acid

C8H9BO2

结构：COc1c(Br)c(I)c(C)c(C#N)c1NC(=O)C(C)(C)C

HCID86630795

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：COc1c(Br)c(C=Cc2ccccc2)c(C)c(C#N)c1NC(=O)C(C)(C)C

HCID86630802

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96ae826600234dc596af9a61087db3d7
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

[Br:6][c:7]1[c:8]([O:24][CH3:25])[c:9]([NH:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[c:10]([C:15]#[N:16])[c:11]([CH3:14])[c:12]1[I:13].[CH3:114][CH2:115][O:116][C:117](=[O:118])[CH3:119].[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH:26](=[CH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[B:34]([OH:35])[OH:36].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[cH:112][cH:113]1>>[Br:6][c:7]1[c:8]([O:24][CH3:25])[c:9]([NH:17][C:18]([C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[c:10]([C:15]#[N:16])[c:11]([CH3:14])[c:12]1[CH:26]=[CH:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1