HRID91192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate Ion

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID17979350

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID17979334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-daee8ab3bb234c868b21a08e7035e5b5
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

[CH2:42]([OH:43])[CH3:44].[NH2:1][c:2]1[n:3][c:4]([Cl:26])[cH:5][c:6]([NH:8][c:9]2[cH:10][c:11]([F:25])[c:12]([O:15][c:16]3[cH:17][c:18]4[cH:19][n:20][nH:21][c:22]4[cH:23][cH:24]3)[cH:13][cH:14]2)[n:7]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH:27][B:28]([OH:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[c:45]1([CH3:46])[cH:47][cH:48][cH:49][cH:50][cH:51]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[NH2:1][c:2]1[n:3][c:4](-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:5][c:6]([NH:8][c:9]2[cH:10][c:11]([F:25])[c:12]([O:15][c:16]3[cH:17][c:18]4[cH:19][n:20][nH:21][c:22]4[cH:23][cH:24]3)[cH:13][cH:14]2)[n:7]1