HRID167898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：COC(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1

HCID11097791

METHYL 2-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETATE

C15H21BO4

HCID21865555

8-Bromo-6-(propan-2-yl)quinoline

C12H12BrN

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)Cc1cccc(-c2cc(C(C)C)cc3cccnc23)c1

HCID20814970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36e11ec1af5541919a8c1cc34a87b574
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:21][c:22]1[cH:23][c:24]([CH:32]([CH3:33])[CH3:34])[cH:25][c:26]2[cH:27][cH:28][cH:29][n:30][c:31]12.[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][c:7]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:8][cH:9][cH:10]1)=[O:20].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Na+:39].[Na+:40].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46].[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:22]2[cH:23][c:24]([CH:32]([CH3:33])[CH3:34])[cH:25][c:26]3[cH:27][cH:28][cH:29][n:30][c:31]23)[cH:8][cH:9][cH:10]1)=[O:20]