HRID1119751

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7912

Diisopropylamine

C6H15N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID138823

Cyclopropylacetylene

C5H6

结构：NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(Br)cc12

HCID58466159

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：NC1=NC2(CO1)c1cc(O)ccc1Oc1ccc(C#CC3CC3)cc12

HCID67240960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d534b8d13d54406890949f70b09ecec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH:22]1([C:25]#[CH:26])[CH2:23][CH2:24]1.[CH:27]([NH:28][CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[Cu:34][I:35].[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9]([OH:21])[cH:10][cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([Br:20])[cH:18][c:19]12.[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([P:61]([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)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[NH2:1][C:2]1=[N:6][C:5]2([CH2:4][O:3]1)[c:7]1[cH:8][c:9]([OH:21])[cH:10][cH:11][c:12]1[O:13][c:14]1[cH:15][cH:16][c:17]([C:26]#[C:25][CH:22]3[CH2:23][CH2:24]3)[cH:18][c:19]12