HRID161030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID2734361

Indole-5-boronic acid

C8H8BNO2

HCID25129785

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：COc1ccc(-c2cncc(C#N)c2-c2ccc3[nH]ccc3c2)cc1OC

HCID44573873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-614646393b2d4de49e9d24ddf70256a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[Cl:1][c:2]1[c:3](-[c:10]2[cH:11][c:12]([O:18][CH3:19])[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:4][n:5][cH:6][c:7]1[C:8]#[N:9].[Na+:36].[O-:32][C:33]([OH:34])=[O:35].[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([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)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([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)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[cH:118][cH:119]1.[nH:20]1[cH:21][cH:22][c:23]2[cH:24][c:25]([B:29]([OH:30])[OH:31])[cH:26][cH:27][c:28]12>>[c:2]1(-[c:25]2[cH:24][c:23]3[cH:22][cH:21][nH:20][c:28]3[cH:27][cH:26]2)[c:3](-[c:10]2[cH:11][c:12]([O:18][CH3:19])[c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:4][n:5][cH:6][c:7]1[C:8]#[N:9]