HRID2136152

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

反应SMILES：CC(C)(C#N)c1cc(Br)cc(B2OC(C)(C)C(C)(C)O2)c1

HCID57969633

3-Bromo-α,α-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzeneacetonitrile

C16H21BBrNO2

反应SMILES：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

产物

反应SMILES：CC(C)(C#N)c1cc(Br)cc(-c2ccnc3[nH]ncc23)c1

HCID42635199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b257c6455bd423aae0ff2fa1c96d6b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[Br:11][c:12]1[cH:13][c:14]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[cH:15][c:16]([B:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[cH:17]1.[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[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+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[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:16]2[cH:15][c:14]([C:27]([C:28]#[N:29])([CH3:30])[CH3:31])[cH:13][c:12]([Br:11])[cH:17]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[nH:8][n:9][cH:10]2