HRID2134180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

反应SMILES：Cn1cc(C2=C(c3cn(C)c4cc(Br)ccc34)C(=O)NC2=O)c2ccccc21

HCID21709059

未命名化合物

反应SMILES：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

产物

反应SMILES：Cn1cc(C2=C(c3cn(C)c4cc(-c5ccsc5)ccc34)C(=O)NC2=O)c2ccccc21

HCID10296814

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-17385408ab38449a92cb2c9fd507dfcc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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