HRID1539212

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2734334

2,4-Difluorophenylboronic acid

C6H5BF2O2

结构：CN1CCN(C(=O)c2ccc(Nc3nc(Cl)ccc3C(N)=O)cc2)CC1

HCID57489611

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：CN1CCN(C(=O)c2ccc(Nc3nc(-c4ccc(F)cc4F)ccc3C(N)=O)cc2)CC1

HCID57489608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b14bc5b718b44c1a9cfc6f6ea6630070
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]3)[cH:16][cH:17]2)[c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1.[F:27][c:28]1[c:29]([B:35]([OH:36])[OH:37])[cH:30][cH:31][c:32]([F:34])[cH:33]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([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)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([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)[P:93]([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)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:29]2[c:28]([F:27])[cH:33][c:32]([F:34])[cH:31][cH:30]2)[n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([C:18](=[O:19])[N:20]3[CH2:21][CH2:22][N:23]([CH3:26])[CH2:24][CH2:25]3)[cH:16][cH:17]2)[c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1