HRID2320971

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID7859

Propargyl alcohol

C3H4O

HCID31268

Pyrrolidine

C4H9N

结构：CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(Br)c2)N=C1N

HCID59790307

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：CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(C#CCO)c2)N=C1N

HCID57435914

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e6f951c73464a96ac75fc31e95e08e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:30]1[CH2:31][NH:32][CH2:33][CH2:34]1.[NH2:1][C:2]1=[N:3][C:4]([c:9]2[cH:10][cH:11][c:12]([O:15][CH:16]([F:17])[F:18])[cH:13][cH:14]2)([c:19]2[cH:20][c:21]([Br:25])[cH:22][cH:23][cH:24]2)[C:5](=[O:8])[N:6]1[CH3:7].[OH2:35].[OH:26][CH2:27][C:28]#[CH:29].[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:3][C:4]([c:9]2[cH:10][cH:11][c:12]([O:15][CH:16]([F:17])[F:18])[cH:13][cH:14]2)([c:19]2[cH:20][c:21]([C:29]#[C:28][CH2:27][OH:26])[cH:22][cH:23][cH:24]2)[C:5](=[O:8])[N:6]1[CH3:7]