HRID1130938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

结构：CC1CN(C(=O)c2ccccc2)CCN1c1nnc(Cl)c2cccnc12

HCID76585151

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：CC1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C#N)cc2)c2cccnc12

HCID68729694

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5b16d1e500f4b2f861e1462db31246f
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

[C:33](#[N:34])[c:35]1[cH:36][cH:37][c:38]([B:41]([OH:42])[OH:43])[cH:39][cH:40]1.[Cl:1][c:2]1[c:3]2[c:4]([c:5]([N:8]3[CH:9]([CH3:22])[CH2:10][N:11]([C:14](=[O:15])[c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[CH2:12][CH2:13]3)[n:6][n:7]1)[n:23][cH:24][cH:25][cH:26]2.[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([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)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([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)[P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([C:33]#[N:34])[cH:40][cH:39]2)[c:3]2[c:4]([c:5]([N:8]3[CH:9]([CH3:22])[CH2:10][N:11]([C:14](=[O:15])[c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[CH2:12][CH2:13]3)[n:6][n:7]1)[n:23][cH:24][cH:25][cH:26]2