HRID305107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate Ion

CO3-2

HCID20111877

(5-Chloropyridin-3-yl)boronic acid

C5H5BClNO2

HCID46941673

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID86646387

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1197c8f70d040b4972c5314f54e12d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:8]=[O:9])[c:5]([CH3:7])[o:6]1.[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[Cl:10][c:11]1[cH:12][c:13]([B:17]([OH:18])[OH:19])[cH:14][n:15][cH:16]1.[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[OH2:109].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[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)[cH:107][cH:108]1>>[c:2]1(-[c:13]2[cH:12][c:11]([Cl:10])[cH:16][n:15][cH:14]2)[cH:3][c:4]([CH:8]=[O:9])[c:5]([CH3:7])[o:6]1