HRID2310665

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID23139440

未命名化合物

HCID59432554

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：COC(=O)c1cc(-c2ccc(C)cc2F)cc(-c2ccnn2C(C)C)c1

HCID57770648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3786cc369d4467b8246104dee8c9cdb
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

[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7](-[c:12]2[c:13]([F:19])[cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:8][c:9]([I:11])[cH:10]1.[CH:20]([CH3:21])([CH3:22])[n:23]1[n:24][cH:25][cH:26][c:27]1[B:28]([OH:29])[OH:30].[K+:35].[O-:31][C:32]([CH3:33])=[O:34].[OH2:113].[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>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7](-[c:12]2[c:13]([F:19])[cH:14][c:15]([CH3:18])[cH:16][cH:17]2)[cH:8][c:9](-[c:27]2[n:23]([CH:20]([CH3:21])[CH3:22])[n:24][cH:25][cH:26]2)[cH:10]1