HRID210488

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68443831

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc2cc(C=O)ccc2o1

HCID86616834

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：Cc1c(Nc2c(C#N)cncc2-c2cc3cc(C=O)ccc3o2)ccc2[nH]ccc12

HCID86616835

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54ff800513d349d385cd2aecf2d27717
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

[CH2:21]([Sn:22]([CH2:23][CH2:24][CH2:25][CH3:37])([c:26]1[o:27][c:28]2[c:29]([cH:30]1)[cH:31][c:32]([CH:35]=[O:36])[cH:33][cH:34]2)[CH2:38][CH2:39][CH2:40][CH3:41])[CH2:42][CH2:43][CH3:44].[I:1][c:2]1[cH:3][n:4][cH:5][c:6]([C:7]#[N:8])[c:9]1[NH:10][c:11]1[c:12]([CH3:20])[c:13]2[cH:14][cH:15][nH:16][c:17]2[cH:18][cH:19]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([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)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[c:2]1(-[c:26]2[o:27][c:28]3[c:29]([cH:30]2)[cH:31][c:32]([CH:35]=[O:36])[cH:33][cH:34]3)[cH:3][n:4][cH:5][c:6]([C:7]#[N:8])[c:9]1[NH:10][c:11]1[c:12]([CH3:20])[c:13]2[cH:14][cH:15][nH:16][c:17]2[cH:18][cH:19]1