HRID103069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID4683185

未命名化合物

结构：COc1ccccc1-c1cc(Br)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nn12

HCID66711068

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：C=Cc1cc(-c2ccccc2OC)n2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12

HCID66711513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36767e491b864988855ef47cabe78d75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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