HRID673770

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate Ion

CO3-2

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

HCID58016901

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID25096903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0952b9ab028a4b309ce1425a206f7fc1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[C:1](=[O:2])([O-:3])[O-:4].[CH3:35][c:36]1[c:37]([B:42]([OH:43])[OH:44])[cH:38][cH:39][cH:40][cH:41]1.[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[CH3:7][O:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][c:16]1[c:17]2[c:18]([n:19][cH:20][n:21]1)[o:22][c:23]([Br:33])[c:24]2-[c:25]1[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)=[O:34].[K+:5].[K+:6].[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([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)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[CH3:7][O:8][C:9]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][NH:15][c:16]1[c:17]2[c:18]([n:19][cH:20][n:21]1)[o:22][c:23](-[c:37]1[c:36]([CH3:35])[cH:41][cH:40][cH:39][cH:38]1)[c:24]2-[c:25]1[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)=[O:34]