HRID122408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CC(C)C(C(=O)N1CC(C#N)C1)N1Cc2c(Cl)cnc3[nH]cc(c23)C1=O

HCID75301976

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：Cc1cnc2[nH]cc3c2c1CN(C(C(=O)N1CC(C#N)C1)C(C)C)C3=O

HCID49821691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7e4cbb13cbd4db4b974ced5190927d9
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

[CH3:27][Al:28]([CH3:29])[CH3:30].[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:25][nH:26]2)[C:8](=[O:24])[N:9]([CH:12]([C:13](=[O:14])[N:15]2[CH2:16][CH:17]([C:19]#[N:20])[CH2:18]2)[CH:21]([CH3:22])[CH3:23])[CH2:10][c:11]13.[O:108]1[CH2:109][CH2:110][O:111][CH2:112][CH2:113]1.[cH:31]1[cH:32][cH:33][c:34]([P:35]([Pd:36]([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)([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)([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)([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)[cH:106][cH:107]1>>[c:2]1([CH3:27])[cH:3][n:4][c:5]2[c:6]3[c:7]([cH:25][nH:26]2)[C:8](=[O:24])[N:9]([CH:12]([C:13](=[O:14])[N:15]2[CH2:16][CH:17]([C:19]#[N:20])[CH2:18]2)[CH:21]([CH3:22])[CH3:23])[CH2:10][c:11]13