HRID305254

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

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID44578987

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID44578937

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-23ae2d04b45b40aab2ab52533bbb2025
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

[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][n:16][c:17]3[cH:18]2)[cH:19][cH:20]1.[F:21][C:22]([c:23]1[cH:24][cH:25][c:26]([B:29]([OH:30])[OH:31])[cH:27][cH:28]1)([F:32])[F:33].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[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>>[c:2]1(-[c:26]2[cH:25][cH:24][c:23]([C:22]([F:21])([F:32])[F:33])[cH:28][cH:27]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[cH:13][cH:14][cH:15][n:16][c:17]3[cH:18]2)[cH:19][cH:20]1