HRID196821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID13831794

2-Iodo-1-benzofuran

C8H5IO

结构：C#CCN(C(=O)c1ccc(Cl)cc1Cl)C(Cc1ccccc1)C(=O)OC

HCID20779304

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：COC(=O)C(Cc1ccccc1)N(CC#Cc1cc2ccccc2o1)C(=O)c1ccc(Cl)cc1Cl

HCID69739728

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4afed0fd11b45ccb5c548d78da2b1b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:12]([CH2:13][C:14]#[CH:15])[C:16]([c:17]1[c:18]([Cl:24])[cH:19][c:20]([Cl:23])[cH:21][cH:22]1)=[O:25])=[O:26].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[I:27][c:28]1[o:29][c:30]2[c:31]([cH:32]1)[cH:33][cH:34][cH:35][cH:36]2.[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[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>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)[N:12]([CH2:13][C:14]#[C:15][c:28]1[o:29][c:30]2[c:31]([cH:32]1)[cH:33][cH:34][cH:35][cH:36]2)[C:16]([c:17]1[c:18]([Cl:24])[cH:19][c:20]([Cl:23])[cH:21][cH:22]1)=[O:25])=[O:26]