HRID206308

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

CO3-2

HCID156265

3,5-Bis-trifluoromethylphenylboronic acid

C8H5BF6O2

结构：COC(=O)Cc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)c1

HCID59161716

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID59161719

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f39a5be7eb8f4fbe89e1ff14646390ef
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

[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([Cl:21])[n:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:22].[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[F:23][C:24]([c:25]1[cH:26][c:27]([B:35]([OH:36])[OH:37])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]1)([F:38])[F:39].[Na+:44].[Na+:45].[OH2:52].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7](-[c:27]2[cH:26][c:25]([C:24]([F:23])([F:38])[F:39])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28]2)[n:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([C:17]([F:18])([F:19])[F:20])[cH:15][cH:16]2)[cH:10]1)=[O:22]