HRID101872

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

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID59337592

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID45117831

3-Benzoyl-1-(3-chloro-propyl)-5-pyridin-3-yl-1H-pyrimidine-2,4-dione

C19H16ClN3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-892ced92e94c40a8a3f4273b265bc12a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[n:9]1[c:10](=[O:21])[n:11]([CH2:17][CH2:18][CH2:19][Cl:20])[cH:12][c:13]([I:16])[c:14]1=[O:15].[C:31](=[O:32])([O-:33])[O-:34].[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[Na+:35].[Na+:36].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([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)[P:106]([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)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1.[n:22]1[cH:23][c:24]([B:28]([OH:29])[OH:30])[cH:25][cH:26][cH:27]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[n:9]1[c:10](=[O:21])[n:11]([CH2:17][CH2:18][CH2:19][Cl:20])[cH:12][c:13](-[c:24]2[cH:23][n:22][cH:27][cH:26][cH:25]2)[c:14]1=[O:15]