HRID175253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate Ion

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID66924908

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID66924860

Ethyl 4-methyl-1-[(4-methylphenyl)sulfonyl]-5-phenyl-1H-pyrrole-3-carboxylate

C21H21NO4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ccb478993ad540119539aec28ee47419
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

[Br:1][c:2]1[c:3]([CH3:22])[c:4]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]1.[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[OH:23][B:24]([OH:25])[c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)([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)[cH:119][cH:120]1>>[c:2]1(-[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[c:3]([CH3:22])[c:4]([C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:5][n:6]1[S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([CH3:16])[cH:14][cH:15]1