HRID1237273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2782667

2,4-Bis(trifluoromethyl)phenylboronic acid

C8H5BF6O2

结构：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(Cl)nncc2c1

HCID11848312

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：Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nncc2c1

HCID11848989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-728b3ecf3c7d47188cb4a351b76626d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:42](=[O:43])([O-:44])[O-:45].[CH3:49][O:50][CH2:51][CH2:52][O:53][CH3:54].[CH3:55][CH2:56][OH:57].[Cl:1][c:2]1[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]4[CH2:19][CH2:20]4)[cH:21][cH:22][c:23]3[CH3:24])[cH:9][cH:10][c:11]12.[F:25][C:26]([c:27]1[c:28]([B:37]([OH:38])[OH:39])[cH:29][cH:30][c:31]([C:33]([F:34])([F:35])[F:36])[cH:32]1)([F:40])[F:41].[K+:46].[K+:47].[OH2:48].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1(-[c:28]2[c:27]([C:26]([F:25])([F:40])[F:41])[cH:32][c:31]([C:33]([F:34])([F:35])[F:36])[cH:30][cH:29]2)[n:3][n:4][cH:5][c:6]2[cH:7][c:8](-[c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][CH:18]4[CH2:19][CH2:20]4)[cH:21][cH:22][c:23]3[CH3:24])[cH:9][cH:10][c:11]12