HRID165619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate Ion

CO3-2

HCID44119555

4,4-Dimethylcyclohexen-1-ylboronic acid

C8H15BO2

HCID45037053

(4-Amino-3-bromophenyl)acetonitrile

C8H7BrN2

HCID178420554

未命名化合物

PRODUCTS

产物

HCID58754882

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d50d45c0b9f94b618cb2f194099ac6ec
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

[C:23](=[O:24])([O-:25])[O-:26].[CH3:12][C:13]1([CH3:22])[CH2:14][CH:15]=[C:16]([B:19]([OH:20])[OH:21])[CH2:17][CH2:18]1.[NH2:1][c:2]1[c:3]([Br:11])[cH:4][c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1.[Na+:27].[Na+:28].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[cH:104][cH:105]1>>[NH2:1][c:2]1[c:3]([C:16]2=[CH:15][CH2:14][C:13]([CH3:12])([CH3:22])[CH2:18][CH2:17]2)[cH:4][c:5]([CH2:8][C:9]#[N:10])[cH:6][cH:7]1