HRID160841

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID57642801

4-Iodo-1H-pyrazolo[3,4-b]pyridine

C6H4IN3

结构：CC(C)(C#N)c1cccc(B2OC(C)(C)C(C)(C)O2)c1

HCID57969795

2-Methyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile

C16H22BNO2

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：CC(C)(C#N)c1cccc(-c2ccnc3[nH]ncc23)c1

HCID42634832

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6a74a55ba0845f8aa453ad37f41010f
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

[CH3:11][C:12]([C:13]#[N:14])([CH3:15])[c:16]1[cH:17][c:18]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:19][cH:20][cH:21]1.[CH3:37][O:38][CH2:39][CH2:40][O:41][CH3:42].[I:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[nH:8][n:9][cH:10]2.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[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>>[c:2]1(-[c:18]2[cH:17][c:16]([C:12]([CH3:11])([C:13]#[N:14])[CH3:15])[cH:21][cH:20][cH:19]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[nH:8][n:9][cH:10]2