HRID184898

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

HCID8857

Ethyl Acetate

C4H8O2

HCID250705

2,4-Dichloro-5-fluoropyrimidine

C4HCl2FN2

HCID2762704

(2-Chloropyridin-3-yl)boronic acid

C5H5BClNO2

HCID178420554

未命名化合物

PRODUCTS

产物

HCID77230203

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3df7ec23a4c14a378680abda5a48ebd0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[CH3:20][O:21][CH2:22][CH2:23][O:24][CH3:25].[CH3:31][CH2:32][O:33][C:34]([CH3:35])=[O:36].[Cl:10][c:11]1[n:12][cH:13][cH:14][cH:15][c:16]1[B:17]([OH:18])[OH:19].[Cl:1][c:2]1[n:3][cH:4][c:5]([F:9])[c:6]([Cl:8])[n:7]1.[Na+:30].[O-:26][C:27]([OH:28])=[O:29].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([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)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[cH:112][cH:113]1>>[Cl:1][c:2]1[n:3][cH:4][c:5]([F:9])[c:6](-[c:16]2[c:11]([Cl:10])[n:12][cH:13][cH:14][cH:15]2)[n:7]1